Iodine in PDB 8u9f: Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai
Protein crystallography data
The structure of Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai, PDB code: 8u9f
was solved by
D.E.Sastre,
M.V.A.S.Navarro,
E.J.Sundberg,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
41.50 /
1.08
|
Space group
|
P 2 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
51.54,
70.005,
70.159,
90,
90,
90
|
R / Rfree (%)
|
11.1 /
12.7
|
Other elements in 8u9f:
The structure of Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai also contains other interesting chemical elements:
Iodine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
23;
Binding sites:
The binding sites of Iodine atom in the Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai
(pdb code 8u9f). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 23 binding sites of Iodine where determined in the
Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai, PDB code: 8u9f:
Jump to Iodine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iodine binding site 1 out
of 23 in 8u9f
Go back to
Iodine Binding Sites List in 8u9f
Iodine binding site 1 out
of 23 in the Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 1 of Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I408
b:27.1
occ:0.26
|
O
|
A:HOH632
|
3.1
|
16.5
|
0.8
|
HA
|
A:LYS292
|
3.3
|
12.2
|
0.5
|
HA
|
A:LYS292
|
3.3
|
13.3
|
0.5
|
HG3
|
A:LYS288
|
3.4
|
15.4
|
1.0
|
HE3
|
A:LYS288
|
3.7
|
21.5
|
1.0
|
HB3
|
A:LYS292
|
3.7
|
14.9
|
0.5
|
HB3
|
A:LYS292
|
3.8
|
16.9
|
0.5
|
HG3
|
A:LYS292
|
3.8
|
20.3
|
0.5
|
HG2
|
A:LYS292
|
3.9
|
17.8
|
0.5
|
CA
|
A:LYS292
|
4.0
|
11.1
|
0.5
|
CA
|
A:LYS292
|
4.0
|
10.2
|
0.5
|
C
|
A:LYS292
|
4.2
|
10.1
|
0.5
|
C
|
A:LYS292
|
4.2
|
9.6
|
0.5
|
CB
|
A:LYS292
|
4.2
|
14.1
|
0.5
|
CB
|
A:LYS292
|
4.2
|
12.4
|
0.5
|
O
|
A:LYS292
|
4.3
|
11.7
|
0.5
|
CG
|
A:LYS288
|
4.3
|
12.8
|
1.0
|
O
|
A:LYS292
|
4.3
|
11.2
|
0.5
|
HA
|
A:LYS288
|
4.4
|
9.1
|
1.0
|
O
|
A:HOH639
|
4.4
|
47.7
|
1.0
|
CG
|
A:LYS292
|
4.5
|
16.9
|
0.5
|
CE
|
A:LYS288
|
4.5
|
17.9
|
1.0
|
CG
|
A:LYS292
|
4.6
|
14.8
|
0.5
|
O
|
A:LYS288
|
4.6
|
9.3
|
1.0
|
HG2
|
A:LYS288
|
4.7
|
15.4
|
1.0
|
HE2
|
A:LYS288
|
4.8
|
21.5
|
1.0
|
HD3
|
A:LYS292
|
4.8
|
20.6
|
0.5
|
N
|
A:SER293
|
4.8
|
8.9
|
1.0
|
HD2
|
A:LYS288
|
4.8
|
18.7
|
1.0
|
CD
|
A:LYS288
|
4.8
|
15.5
|
1.0
|
HD2
|
A:LYS292
|
4.9
|
22.6
|
0.5
|
|
Iodine binding site 2 out
of 23 in 8u9f
Go back to
Iodine Binding Sites List in 8u9f
Iodine binding site 2 out
of 23 in the Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 2 of Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I409
b:28.9
occ:0.24
|
OE1
|
A:GLN255
|
2.7
|
14.9
|
1.0
|
HB1
|
A:ALA251
|
3.2
|
12.2
|
1.0
|
HA2
|
A:GLY285
|
3.2
|
8.5
|
1.0
|
O
|
A:HOH653
|
3.4
|
11.2
|
0.8
|
HB2
|
A:GLN255
|
3.5
|
10.0
|
1.0
|
O
|
A:HOH612
|
3.7
|
14.7
|
0.9
|
HA
|
A:ALA252
|
3.8
|
9.8
|
1.0
|
HB3
|
A:ALA251
|
3.8
|
12.2
|
1.0
|
HA3
|
A:GLY285
|
3.9
|
8.5
|
1.0
|
O
|
A:HOH849
|
3.9
|
38.9
|
1.0
|
CD
|
A:GLN255
|
3.9
|
13.3
|
1.0
|
CB
|
A:ALA251
|
3.9
|
10.2
|
1.0
|
CA
|
A:GLY285
|
4.0
|
7.1
|
1.0
|
O
|
A:ALA251
|
4.1
|
8.5
|
1.0
|
C
|
A:ALA251
|
4.1
|
8.2
|
1.0
|
HD3
|
A:LYS288
|
4.1
|
18.7
|
1.0
|
CB
|
A:GLN255
|
4.3
|
8.3
|
1.0
|
HB3
|
A:GLN255
|
4.3
|
10.0
|
1.0
|
N
|
A:ALA252
|
4.3
|
8.3
|
1.0
|
CA
|
A:ALA252
|
4.5
|
8.1
|
1.0
|
CG
|
A:GLN255
|
4.6
|
10.0
|
1.0
|
HD21
|
A:ASN284
|
4.6
|
14.8
|
1.0
|
N
|
A:GLY285
|
4.6
|
7.0
|
1.0
|
HG3
|
A:GLN255
|
4.7
|
11.9
|
1.0
|
CA
|
A:ALA251
|
4.7
|
9.0
|
1.0
|
HB2
|
A:ALA251
|
4.7
|
12.2
|
1.0
|
H
|
A:ALA252
|
4.7
|
10.0
|
1.0
|
HB2
|
A:ALA252
|
4.8
|
10.9
|
1.0
|
H
|
A:GLY285
|
4.8
|
8.4
|
1.0
|
HB3
|
A:LYS288
|
4.8
|
10.7
|
1.0
|
NE2
|
A:GLN255
|
4.9
|
15.0
|
1.0
|
HE22
|
A:GLN255
|
5.0
|
18.0
|
1.0
|
|
Iodine binding site 3 out
of 23 in 8u9f
Go back to
Iodine Binding Sites List in 8u9f
Iodine binding site 3 out
of 23 in the Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 3 of Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I410
b:19.1
occ:0.46
|
O
|
A:HOH610
|
2.4
|
31.9
|
1.0
|
HE3
|
A:LYS264
|
2.9
|
23.1
|
1.0
|
HG2
|
A:GLN260
|
2.9
|
15.2
|
1.0
|
HA
|
A:GLN260
|
3.4
|
10.9
|
1.0
|
HE2
|
A:LYS264
|
3.5
|
23.1
|
1.0
|
CE
|
A:LYS264
|
3.6
|
19.2
|
1.0
|
HB3
|
A:SER263
|
3.6
|
13.3
|
0.5
|
HG
|
A:SER263
|
3.7
|
15.2
|
0.5
|
HB3
|
A:GLN260
|
3.7
|
12.2
|
1.0
|
HB2
|
A:SER263
|
3.7
|
12.8
|
0.5
|
HG3
|
A:LYS264
|
3.8
|
15.8
|
1.0
|
CG
|
A:GLN260
|
3.8
|
12.6
|
1.0
|
CB
|
A:GLN260
|
4.1
|
10.2
|
1.0
|
HZ1
|
A:LYS264
|
4.2
|
25.9
|
1.0
|
CA
|
A:GLN260
|
4.2
|
9.1
|
1.0
|
HB3
|
A:SER263
|
4.3
|
12.8
|
0.5
|
O
|
A:HOH776
|
4.3
|
23.8
|
0.8
|
OG
|
A:SER263
|
4.3
|
12.7
|
0.5
|
HG3
|
A:GLN260
|
4.3
|
15.2
|
1.0
|
CB
|
A:SER263
|
4.3
|
11.1
|
0.5
|
CB
|
A:SER263
|
4.4
|
10.7
|
0.5
|
HG
|
A:SER263
|
4.4
|
15.5
|
0.5
|
NZ
|
A:LYS264
|
4.4
|
21.6
|
1.0
|
CG
|
A:LYS264
|
4.5
|
13.2
|
1.0
|
HG2
|
A:LYS264
|
4.5
|
15.8
|
1.0
|
HB2
|
A:SER263
|
4.6
|
13.3
|
0.5
|
CD
|
A:LYS264
|
4.7
|
15.3
|
1.0
|
CD
|
A:GLN260
|
4.8
|
16.6
|
1.0
|
O
|
A:GLN260
|
4.8
|
8.7
|
1.0
|
HZ2
|
A:LYS264
|
4.8
|
25.9
|
1.0
|
OG
|
A:SER263
|
4.9
|
12.9
|
0.5
|
HD2
|
A:LYS264
|
5.0
|
18.4
|
1.0
|
|
Iodine binding site 4 out
of 23 in 8u9f
Go back to
Iodine Binding Sites List in 8u9f
Iodine binding site 4 out
of 23 in the Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 4 of Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I411
b:37.5
occ:0.29
|
HZ3
|
A:LYS237
|
2.3
|
12.0
|
1.0
|
HZ1
|
A:LYS237
|
2.9
|
12.0
|
1.0
|
HA
|
A:SER212
|
3.0
|
12.5
|
0.3
|
NZ
|
A:LYS237
|
3.0
|
10.0
|
1.0
|
HA
|
A:SER212
|
3.1
|
13.5
|
0.7
|
OD1
|
A:ASN211
|
3.2
|
12.4
|
1.0
|
HD3
|
A:LYS237
|
3.3
|
11.6
|
1.0
|
HD3
|
A:PRO234
|
3.6
|
9.0
|
1.0
|
HZ2
|
A:LYS237
|
3.7
|
12.0
|
1.0
|
CE
|
A:LYS237
|
3.8
|
10.4
|
1.0
|
O
|
A:ASN211
|
3.8
|
9.2
|
1.0
|
CA
|
A:SER212
|
3.8
|
10.4
|
0.3
|
CD
|
A:LYS237
|
3.9
|
9.7
|
1.0
|
CA
|
A:SER212
|
3.9
|
11.3
|
0.7
|
O
|
A:HOH586
|
3.9
|
31.5
|
1.0
|
HE2
|
A:LYS237
|
3.9
|
12.5
|
1.0
|
HD2
|
A:LYS237
|
3.9
|
11.6
|
1.0
|
CG
|
A:ASN211
|
4.0
|
11.2
|
1.0
|
C
|
A:ASN211
|
4.0
|
9.4
|
1.0
|
N
|
A:SER212
|
4.0
|
9.9
|
0.3
|
N
|
A:SER212
|
4.0
|
10.3
|
0.7
|
HB3
|
A:SER212
|
4.0
|
14.0
|
0.3
|
HG3
|
A:PRO234
|
4.1
|
8.5
|
1.0
|
HD2
|
A:PRO234
|
4.1
|
9.0
|
1.0
|
OG
|
A:SER212
|
4.2
|
15.4
|
0.7
|
CD
|
A:PRO234
|
4.2
|
7.5
|
1.0
|
O
|
A:HOH850
|
4.2
|
20.2
|
1.0
|
H
|
A:SER212
|
4.4
|
11.9
|
0.3
|
CB
|
A:SER212
|
4.5
|
11.7
|
0.3
|
H
|
A:SER212
|
4.5
|
12.3
|
0.7
|
HD21
|
A:ASN211
|
4.5
|
14.9
|
1.0
|
ND2
|
A:ASN211
|
4.6
|
12.4
|
1.0
|
HB2
|
A:ASN211
|
4.6
|
11.5
|
1.0
|
CG
|
A:PRO234
|
4.7
|
7.1
|
1.0
|
CB
|
A:SER212
|
4.7
|
13.4
|
0.7
|
HE3
|
A:LYS237
|
4.7
|
12.5
|
1.0
|
HB2
|
A:SER212
|
4.7
|
14.0
|
0.3
|
CB
|
A:ASN211
|
4.7
|
9.6
|
1.0
|
HA
|
A:MET233
|
4.9
|
9.1
|
1.0
|
HG
|
A:SER212
|
4.9
|
18.4
|
0.7
|
CA
|
A:ASN211
|
4.9
|
9.5
|
1.0
|
SD
|
A:MET233
|
5.0
|
8.4
|
1.0
|
C
|
A:SER212
|
5.0
|
10.9
|
0.7
|
C
|
A:SER212
|
5.0
|
10.4
|
0.3
|
|
Iodine binding site 5 out
of 23 in 8u9f
Go back to
Iodine Binding Sites List in 8u9f
Iodine binding site 5 out
of 23 in the Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 5 of Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I412
b:10.1
occ:0.87
|
HZ3
|
A:LYS114
|
2.9
|
11.0
|
1.0
|
HD3
|
A:PRO70
|
3.3
|
10.5
|
1.0
|
HE2
|
A:LYS114
|
3.4
|
11.4
|
1.0
|
HA
|
A:ALA69
|
3.4
|
10.8
|
1.0
|
HG12
|
A:ILE65
|
3.4
|
13.5
|
1.0
|
HD3
|
A:LYS114
|
3.5
|
13.1
|
1.0
|
O
|
A:HOH802
|
3.6
|
9.0
|
0.7
|
HG23
|
A:ILE65
|
3.6
|
10.9
|
1.0
|
NZ
|
A:LYS114
|
3.7
|
9.2
|
1.0
|
HB2
|
A:LYS114
|
3.7
|
14.2
|
1.0
|
O
|
A:HOH729
|
3.8
|
22.8
|
0.9
|
C
|
A:ALA69
|
3.9
|
7.8
|
1.0
|
CE
|
A:LYS114
|
3.9
|
9.5
|
1.0
|
N
|
A:PRO70
|
3.9
|
7.7
|
1.0
|
CA
|
A:ALA69
|
4.0
|
9.0
|
1.0
|
CD
|
A:PRO70
|
4.0
|
8.7
|
1.0
|
O
|
A:HOH712
|
4.1
|
35.9
|
0.9
|
HZ1
|
A:LYS114
|
4.2
|
11.0
|
1.0
|
CD
|
A:LYS114
|
4.2
|
10.9
|
1.0
|
N
|
A:ALA69
|
4.2
|
9.5
|
1.0
|
HZ2
|
A:LYS114
|
4.2
|
11.0
|
1.0
|
HD13
|
A:ILE65
|
4.3
|
16.5
|
1.0
|
HA
|
A:PRO70
|
4.3
|
9.1
|
1.0
|
CG1
|
A:ILE65
|
4.3
|
11.2
|
1.0
|
O
|
A:ALA69
|
4.4
|
8.1
|
1.0
|
CG2
|
A:ILE65
|
4.4
|
9.1
|
1.0
|
HD11
|
A:ILE65
|
4.5
|
16.5
|
1.0
|
O
|
A:ASP68
|
4.5
|
12.0
|
1.0
|
C
|
A:ASP68
|
4.5
|
10.4
|
1.0
|
HG21
|
A:ILE65
|
4.5
|
10.9
|
1.0
|
H
|
A:ALA69
|
4.6
|
11.4
|
1.0
|
CD1
|
A:ILE65
|
4.6
|
13.7
|
1.0
|
CB
|
A:LYS114
|
4.6
|
11.8
|
1.0
|
HD2
|
A:PRO70
|
4.6
|
10.5
|
1.0
|
CA
|
A:PRO70
|
4.6
|
7.5
|
1.0
|
HB3
|
A:LYS114
|
4.7
|
14.2
|
1.0
|
HB3
|
A:PRO70
|
4.8
|
10.3
|
1.0
|
HE3
|
A:LYS114
|
4.8
|
11.4
|
1.0
|
HA
|
A:ILE65
|
4.9
|
8.2
|
1.0
|
HD2
|
A:LYS114
|
4.9
|
13.1
|
1.0
|
HG13
|
A:ILE65
|
5.0
|
13.5
|
1.0
|
|
Iodine binding site 6 out
of 23 in 8u9f
Go back to
Iodine Binding Sites List in 8u9f
Iodine binding site 6 out
of 23 in the Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 6 of Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I413
b:13.3
occ:0.37
|
HA
|
A:SER281
|
3.2
|
9.4
|
1.0
|
HG13
|
A:VAL280
|
3.4
|
10.2
|
1.0
|
O
|
A:HOH585
|
3.5
|
11.4
|
0.7
|
HB3
|
A:ASN284
|
3.9
|
9.0
|
1.0
|
CA
|
A:SER281
|
4.1
|
7.9
|
1.0
|
HD21
|
A:ASN284
|
4.1
|
14.8
|
1.0
|
HB2
|
A:ASN284
|
4.1
|
9.0
|
1.0
|
HB3
|
A:SER281
|
4.1
|
11.5
|
1.0
|
O
|
A:HOH612
|
4.2
|
14.7
|
0.9
|
ND2
|
A:ASN284
|
4.3
|
12.4
|
1.0
|
CG1
|
A:VAL280
|
4.3
|
8.5
|
1.0
|
CB
|
A:ASN284
|
4.3
|
7.5
|
1.0
|
HG22
|
A:VAL280
|
4.4
|
10.4
|
1.0
|
CG
|
A:ASN284
|
4.4
|
8.8
|
1.0
|
N
|
A:SER281
|
4.5
|
6.7
|
1.0
|
CB
|
A:SER281
|
4.5
|
9.6
|
1.0
|
HG11
|
A:VAL280
|
4.6
|
10.2
|
1.0
|
O
|
A:VAL280
|
4.6
|
7.0
|
1.0
|
HG12
|
A:VAL280
|
4.6
|
10.2
|
1.0
|
HB2
|
A:SER281
|
4.7
|
11.5
|
1.0
|
HD22
|
A:ASN284
|
4.7
|
14.8
|
1.0
|
O
|
A:HOH796
|
4.7
|
39.3
|
1.0
|
C
|
A:VAL280
|
4.7
|
6.7
|
1.0
|
H
|
A:SER281
|
4.9
|
8.1
|
1.0
|
O
|
A:HOH821
|
4.9
|
27.6
|
1.0
|
O
|
A:HOH741
|
4.9
|
43.9
|
1.0
|
|
Iodine binding site 7 out
of 23 in 8u9f
Go back to
Iodine Binding Sites List in 8u9f
Iodine binding site 7 out
of 23 in the Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 7 of Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I414
b:11.3
occ:0.22
|
HD11
|
A:ILE279
|
1.9
|
10.7
|
0.5
|
HD12
|
A:ILE279
|
1.9
|
10.7
|
0.5
|
CD1
|
A:ILE279
|
2.2
|
8.9
|
0.5
|
HG23
|
A:VAL282
|
2.5
|
11.7
|
0.8
|
O
|
A:HOH839
|
2.5
|
42.4
|
0.8
|
O
|
A:HOH746
|
2.6
|
31.8
|
0.8
|
HG21
|
A:VAL282
|
2.7
|
11.7
|
0.8
|
OG
|
A:SER281
|
2.8
|
14.7
|
1.0
|
HG
|
A:SER281
|
2.9
|
17.7
|
1.0
|
HD13
|
A:ILE279
|
2.9
|
10.7
|
0.5
|
CG2
|
A:VAL282
|
3.0
|
9.8
|
0.8
|
HG12
|
A:VAL282
|
3.0
|
11.3
|
0.2
|
HG22
|
A:ILE279
|
3.2
|
11.3
|
0.5
|
H
|
A:VAL282
|
3.2
|
8.3
|
0.8
|
HA
|
A:ILE279
|
3.2
|
7.6
|
0.5
|
HA
|
A:ILE279
|
3.3
|
8.7
|
0.5
|
H
|
A:VAL282
|
3.3
|
8.7
|
0.2
|
HG13
|
A:ILE279
|
3.3
|
8.9
|
0.5
|
O
|
A:HOH546
|
3.4
|
15.7
|
0.6
|
CG1
|
A:ILE279
|
3.4
|
7.4
|
0.5
|
O
|
A:HOH561
|
3.4
|
18.0
|
0.9
|
HB
|
A:VAL282
|
3.6
|
10.8
|
0.2
|
HB
|
A:ILE279
|
3.7
|
10.4
|
0.5
|
HG22
|
A:VAL282
|
3.7
|
11.7
|
0.8
|
HG11
|
A:VAL282
|
3.7
|
11.3
|
0.2
|
CG1
|
A:VAL282
|
3.7
|
9.4
|
0.2
|
HB
|
A:VAL282
|
3.8
|
10.5
|
0.8
|
O
|
A:HOH627
|
3.9
|
9.6
|
0.8
|
N
|
A:VAL282
|
3.9
|
7.0
|
0.8
|
N
|
A:VAL282
|
3.9
|
7.3
|
0.2
|
CA
|
A:ILE279
|
4.0
|
7.2
|
0.5
|
CB
|
A:VAL282
|
4.0
|
8.7
|
0.8
|
CG2
|
A:ILE279
|
4.0
|
9.4
|
0.5
|
O
|
A:ILE279
|
4.0
|
6.4
|
0.5
|
CA
|
A:ILE279
|
4.0
|
6.3
|
0.5
|
CB
|
A:ILE279
|
4.1
|
8.7
|
0.5
|
HG12
|
A:ILE279
|
4.1
|
8.9
|
0.5
|
O
|
A:ILE279
|
4.1
|
6.6
|
0.5
|
CB
|
A:VAL282
|
4.1
|
9.0
|
0.2
|
H
|
A:SER281
|
4.1
|
8.1
|
1.0
|
HB3
|
A:ALA248
|
4.1
|
16.7
|
1.0
|
CB
|
A:SER281
|
4.2
|
9.6
|
1.0
|
O
|
A:HOH814
|
4.2
|
35.0
|
0.9
|
C
|
A:ILE279
|
4.2
|
6.3
|
0.5
|
C
|
A:ILE279
|
4.3
|
6.1
|
0.5
|
HB1
|
A:ALA248
|
4.3
|
16.7
|
1.0
|
CB
|
A:ILE279
|
4.3
|
6.9
|
0.5
|
HG21
|
A:ILE279
|
4.6
|
11.3
|
0.5
|
N
|
A:SER281
|
4.6
|
6.7
|
1.0
|
CA
|
A:VAL282
|
4.6
|
7.1
|
0.8
|
CB
|
A:ALA248
|
4.6
|
13.9
|
1.0
|
HG13
|
A:VAL282
|
4.6
|
11.3
|
0.2
|
HG23
|
A:ILE279
|
4.6
|
11.3
|
0.5
|
CA
|
A:VAL282
|
4.6
|
7.7
|
0.2
|
HB2
|
A:SER281
|
4.6
|
11.5
|
1.0
|
HB2
|
A:ALA248
|
4.6
|
16.7
|
1.0
|
HB3
|
A:SER281
|
4.6
|
11.5
|
1.0
|
CA
|
A:SER281
|
4.7
|
7.9
|
1.0
|
C
|
A:SER281
|
4.7
|
6.8
|
1.0
|
HB
|
A:ILE279
|
4.7
|
8.3
|
0.5
|
O
|
A:ASN278
|
4.9
|
8.7
|
1.0
|
HA
|
A:VAL282
|
4.9
|
8.5
|
0.8
|
HA
|
A:VAL282
|
5.0
|
9.3
|
0.2
|
|
Iodine binding site 8 out
of 23 in 8u9f
Go back to
Iodine Binding Sites List in 8u9f
Iodine binding site 8 out
of 23 in the Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 8 of Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I415
b:15.6
occ:0.34
|
HZ2
|
A:LYS190
|
2.7
|
13.8
|
1.0
|
O
|
A:HOH709
|
2.7
|
43.6
|
1.0
|
HD3
|
A:LYS190
|
2.9
|
13.6
|
1.0
|
HG2
|
A:LYS190
|
3.3
|
12.8
|
1.0
|
HG23
|
A:THR144
|
3.4
|
12.2
|
1.0
|
NZ
|
A:LYS190
|
3.5
|
11.5
|
1.0
|
HZ3
|
A:LYS190
|
3.6
|
13.8
|
1.0
|
CD
|
A:LYS190
|
3.7
|
11.4
|
1.0
|
HA
|
A:THR144
|
3.7
|
10.1
|
1.0
|
HB3
|
A:LYS190
|
3.7
|
12.3
|
1.0
|
HB3
|
A:ALA147
|
3.8
|
11.4
|
1.0
|
CG
|
A:LYS190
|
3.9
|
10.7
|
1.0
|
HB1
|
A:ALA147
|
4.1
|
11.4
|
1.0
|
CE
|
A:LYS190
|
4.1
|
11.4
|
1.0
|
HZ1
|
A:LYS190
|
4.1
|
13.8
|
1.0
|
O
|
A:HOH678
|
4.3
|
14.8
|
0.7
|
CG2
|
A:THR144
|
4.3
|
10.2
|
1.0
|
CB
|
A:LYS190
|
4.3
|
10.2
|
1.0
|
OD1
|
A:ASN148
|
4.3
|
16.9
|
1.0
|
CB
|
A:ALA147
|
4.4
|
9.5
|
1.0
|
HE3
|
A:LYS190
|
4.4
|
13.7
|
1.0
|
OG1
|
A:THR144
|
4.4
|
9.9
|
1.0
|
O
|
A:HOH673
|
4.4
|
36.1
|
0.9
|
HD2
|
A:LYS190
|
4.5
|
13.6
|
1.0
|
CA
|
A:THR144
|
4.6
|
8.4
|
1.0
|
CB
|
A:THR144
|
4.7
|
9.5
|
1.0
|
O
|
A:HOH842
|
4.7
|
18.4
|
0.6
|
HB2
|
A:ALA147
|
4.7
|
11.4
|
1.0
|
O
|
A:HOH806
|
4.7
|
38.5
|
0.9
|
HG3
|
A:LYS190
|
4.7
|
12.8
|
1.0
|
HG21
|
A:THR144
|
4.8
|
12.2
|
1.0
|
HG22
|
A:THR144
|
4.9
|
12.2
|
1.0
|
O
|
A:THR144
|
4.9
|
8.4
|
1.0
|
HE2
|
A:LYS190
|
5.0
|
13.7
|
1.0
|
HG1
|
A:THR144
|
5.0
|
11.8
|
1.0
|
HB2
|
A:LYS190
|
5.0
|
12.3
|
1.0
|
|
Iodine binding site 9 out
of 23 in 8u9f
Go back to
Iodine Binding Sites List in 8u9f
Iodine binding site 9 out
of 23 in the Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 9 of Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I416
b:16.8
occ:0.33
|
OE1
|
A:GLN152
|
2.3
|
20.1
|
0.5
|
O
|
A:HOH686
|
3.1
|
31.3
|
0.9
|
HA
|
A:ALA149
|
3.3
|
10.0
|
1.0
|
O
|
A:HOH595
|
3.3
|
15.7
|
0.9
|
CD
|
A:GLN152
|
3.4
|
18.4
|
0.5
|
HG2
|
A:GLN152
|
3.4
|
17.0
|
0.5
|
HB3
|
A:ASN148
|
3.6
|
12.9
|
1.0
|
HB2
|
A:GLN152
|
3.6
|
13.4
|
0.5
|
HB2
|
A:GLN152
|
3.7
|
13.3
|
0.5
|
HB3
|
A:GLN152
|
3.7
|
13.3
|
0.5
|
HB3
|
A:GLN152
|
3.7
|
13.4
|
0.5
|
O
|
A:HOH766
|
3.8
|
14.9
|
1.0
|
HE2
|
A:TYR153
|
3.9
|
12.1
|
1.0
|
CB
|
A:GLN152
|
4.0
|
11.1
|
0.5
|
CB
|
A:GLN152
|
4.0
|
11.2
|
0.5
|
O
|
A:ASN148
|
4.1
|
10.2
|
1.0
|
CA
|
A:ALA149
|
4.1
|
8.3
|
1.0
|
N
|
A:ALA149
|
4.1
|
8.5
|
1.0
|
C
|
A:ASN148
|
4.1
|
8.7
|
1.0
|
HB2
|
A:ALA149
|
4.1
|
11.1
|
1.0
|
CG
|
A:GLN152
|
4.2
|
14.2
|
0.5
|
HE22
|
A:GLN152
|
4.2
|
23.6
|
0.5
|
NE2
|
A:GLN152
|
4.3
|
19.7
|
0.5
|
CG
|
A:GLN152
|
4.3
|
14.7
|
0.5
|
CB
|
A:ASN148
|
4.4
|
10.7
|
1.0
|
HB2
|
A:ASN148
|
4.4
|
12.9
|
1.0
|
CE2
|
A:TYR153
|
4.4
|
10.0
|
1.0
|
H
|
A:ALA149
|
4.4
|
10.2
|
1.0
|
HE21
|
A:GLN152
|
4.5
|
20.9
|
0.5
|
CB
|
A:ALA149
|
4.6
|
9.2
|
1.0
|
OH
|
A:TYR153
|
4.7
|
12.5
|
1.0
|
HH
|
A:TYR153
|
4.7
|
15.0
|
1.0
|
HG3
|
A:GLN152
|
4.8
|
17.0
|
0.5
|
HG2
|
A:GLN152
|
4.8
|
17.6
|
0.5
|
CZ
|
A:TYR153
|
4.9
|
10.5
|
1.0
|
HB1
|
A:ALA149
|
4.9
|
11.1
|
1.0
|
CA
|
A:ASN148
|
4.9
|
9.4
|
1.0
|
HG3
|
A:GLN152
|
5.0
|
17.6
|
0.5
|
|
Iodine binding site 10 out
of 23 in 8u9f
Go back to
Iodine Binding Sites List in 8u9f
Iodine binding site 10 out
of 23 in the Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 10 of Crystal Structure of Bacteroides Thetaiotamicron BT1285 in Complex with Nai within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I417
b:39.3
occ:0.43
|
O
|
A:HOH730
|
2.1
|
13.4
|
0.5
|
HD21
|
A:ASN57
|
3.0
|
8.2
|
1.0
|
HD1
|
A:TYR302
|
3.4
|
9.6
|
1.0
|
I
|
A:IOD429
|
3.4
|
34.0
|
0.3
|
HD12
|
A:LEU59
|
3.4
|
9.2
|
1.0
|
HD22
|
A:ASN305
|
3.5
|
32.8
|
0.5
|
ND2
|
A:ASN57
|
3.6
|
6.8
|
1.0
|
HD22
|
A:ASN57
|
3.6
|
8.2
|
1.0
|
HB3
|
A:TYR302
|
3.7
|
9.1
|
1.0
|
CD1
|
A:LEU59
|
4.1
|
7.6
|
1.0
|
HD13
|
A:LEU59
|
4.2
|
9.2
|
1.0
|
CD1
|
A:TYR302
|
4.2
|
8.0
|
1.0
|
HD11
|
A:LEU59
|
4.2
|
9.2
|
1.0
|
HD21
|
A:LEU107
|
4.3
|
10.7
|
1.0
|
ND2
|
A:ASN305
|
4.3
|
27.4
|
0.5
|
HD2
|
A:PRO303
|
4.4
|
13.7
|
1.0
|
O
|
A:PRO303
|
4.5
|
9.6
|
1.0
|
HD23
|
A:LEU107
|
4.5
|
10.7
|
1.0
|
CB
|
A:TYR302
|
4.6
|
7.6
|
1.0
|
OD1
|
A:ASN305
|
4.6
|
28.4
|
0.5
|
CG
|
A:ASN57
|
4.7
|
5.7
|
1.0
|
CD2
|
A:LEU107
|
4.8
|
8.9
|
1.0
|
CG
|
A:TYR302
|
4.8
|
7.2
|
1.0
|
HG22
|
A:THR106
|
4.8
|
12.4
|
1.0
|
HA
|
A:TYR302
|
4.9
|
9.2
|
1.0
|
HD21
|
A:ASN305
|
4.9
|
32.8
|
0.5
|
CG
|
A:ASN305
|
4.9
|
26.7
|
0.5
|
HG2
|
A:PRO303
|
4.9
|
16.3
|
1.0
|
HE1
|
A:TYR302
|
5.0
|
9.2
|
1.0
|
|
Reference:
D.E.Sastre,
N.Sultana,
M.V.A.S.Navarro,
M.Huliciak,
J.Du,
J.O.Cifuente,
M.Flowers,
X.Liu,
P.Lollar,
B.Trastoy,
M.E.Guerin,
E.J.Sundberg.
Human Gut Microbes Express Functionally Distinct Endoglycosidases to Metabolize the Same N-Glycan Substrate Nat Commun 2024.
ISSN: ESSN 2041-1723
DOI: 10.1038/S41467-024-48802-3
Page generated: Mon Aug 12 03:11:36 2024
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