Iodine in PDB 8em5: Mycobacterium Thermoresistible MMPS5
Protein crystallography data
The structure of Mycobacterium Thermoresistible MMPS5, PDB code: 8em5
was solved by
B.J.Cuthbert,
C.W.Goulding,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
40.08 /
1.95
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
50.284,
85.257,
89.124,
90,
95.19,
90
|
R / Rfree (%)
|
16.1 /
19.4
|
Iodine Binding Sites:
The binding sites of Iodine atom in the Mycobacterium Thermoresistible MMPS5
(pdb code 8em5). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 8 binding sites of Iodine where determined in the
Mycobacterium Thermoresistible MMPS5, PDB code: 8em5:
Jump to Iodine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iodine binding site 1 out
of 8 in 8em5
Go back to
Iodine Binding Sites List in 8em5
Iodine binding site 1 out
of 8 in the Mycobacterium Thermoresistible MMPS5
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 1 of Mycobacterium Thermoresistible MMPS5 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I404
b:45.5
occ:0.37
|
O
|
C:HOH570
|
2.0
|
43.6
|
1.0
|
NH1
|
C:ARG41
|
3.3
|
19.6
|
1.0
|
O4
|
B:12P202
|
3.4
|
51.9
|
1.0
|
O
|
C:ASP29
|
3.5
|
15.4
|
1.0
|
O
|
C:HOH528
|
3.6
|
27.8
|
1.0
|
C3
|
B:12P202
|
3.7
|
34.9
|
1.0
|
C
|
C:ASP29
|
3.9
|
14.0
|
1.0
|
NH2
|
C:ARG41
|
4.0
|
16.4
|
1.0
|
CZ
|
C:ARG41
|
4.1
|
14.4
|
1.0
|
CB
|
C:ASP29
|
4.2
|
14.5
|
1.0
|
O
|
C:VAL65
|
4.2
|
14.8
|
1.0
|
N
|
C:GLN67
|
4.3
|
13.2
|
1.0
|
N
|
C:ILE30
|
4.3
|
12.5
|
1.0
|
CA
|
C:ALA66
|
4.4
|
15.4
|
1.0
|
N
|
C:ASN31
|
4.5
|
12.0
|
1.0
|
O
|
C:HOH590
|
4.5
|
36.6
|
1.0
|
CA
|
C:ILE30
|
4.5
|
12.9
|
1.0
|
CB
|
C:GLN67
|
4.6
|
17.8
|
1.0
|
C
|
C:ILE30
|
4.6
|
16.7
|
1.0
|
C
|
C:ALA66
|
4.6
|
15.3
|
1.0
|
C
|
C:VAL65
|
4.6
|
14.7
|
1.0
|
C5
|
B:12P202
|
4.7
|
35.0
|
1.0
|
CG1
|
C:VAL65
|
4.7
|
25.2
|
1.0
|
CA
|
C:ASP29
|
4.7
|
18.5
|
1.0
|
N
|
C:ALA66
|
4.8
|
11.6
|
1.0
|
O
|
C:GLN67
|
4.8
|
15.4
|
1.0
|
C2
|
B:12P202
|
4.8
|
46.0
|
1.0
|
OD1
|
C:ASN31
|
4.9
|
28.1
|
1.0
|
CG2
|
C:VAL65
|
5.0
|
16.1
|
1.0
|
CA
|
C:GLN67
|
5.0
|
14.6
|
1.0
|
|
Iodine binding site 2 out
of 8 in 8em5
Go back to
Iodine Binding Sites List in 8em5
Iodine binding site 2 out
of 8 in the Mycobacterium Thermoresistible MMPS5
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 2 of Mycobacterium Thermoresistible MMPS5 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:I405
b:24.1
occ:0.90
|
N
|
C:GLY22
|
3.5
|
20.8
|
1.0
|
N
|
C:PRO24
|
3.8
|
24.8
|
1.0
|
CB
|
C:PRO48
|
4.0
|
16.1
|
1.0
|
CA
|
C:PRO24
|
4.0
|
23.9
|
1.0
|
CD
|
C:PRO48
|
4.0
|
19.0
|
1.0
|
N
|
C:THR23
|
4.1
|
17.2
|
1.0
|
C
|
C:GLY22
|
4.1
|
27.8
|
1.0
|
CG
|
C:PRO48
|
4.2
|
19.4
|
1.0
|
CG
|
C:PRO24
|
4.2
|
33.1
|
1.0
|
C
|
C:THR23
|
4.2
|
23.1
|
1.0
|
CD
|
C:PRO24
|
4.2
|
26.8
|
1.0
|
N
|
C:PRO48
|
4.3
|
18.4
|
1.0
|
CA
|
C:GLY22
|
4.3
|
17.9
|
1.0
|
CB
|
C:PHE21
|
4.3
|
15.6
|
1.0
|
CB
|
C:PRO24
|
4.3
|
25.5
|
1.0
|
CA
|
C:PHE21
|
4.4
|
15.4
|
1.0
|
C
|
C:PHE21
|
4.4
|
16.4
|
1.0
|
CA
|
C:PRO48
|
4.5
|
15.9
|
1.0
|
O
|
C:GLY22
|
4.6
|
26.1
|
1.0
|
O
|
C:THR23
|
4.6
|
20.8
|
1.0
|
C
|
C:LEU47
|
4.7
|
19.4
|
1.0
|
CA
|
C:THR23
|
4.7
|
20.3
|
1.0
|
CB
|
C:LEU47
|
4.8
|
19.0
|
1.0
|
O
|
C:LEU47
|
4.9
|
17.2
|
1.0
|
|
Iodine binding site 3 out
of 8 in 8em5
Go back to
Iodine Binding Sites List in 8em5
Iodine binding site 3 out
of 8 in the Mycobacterium Thermoresistible MMPS5
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 3 of Mycobacterium Thermoresistible MMPS5 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:I204
b:52.8
occ:0.41
|
O
|
D:HOH375
|
2.9
|
30.5
|
1.0
|
O
|
B:HOH361
|
3.3
|
24.8
|
1.0
|
ND2
|
B:ASN43
|
3.8
|
25.3
|
1.0
|
NE1
|
D:TRP89
|
3.9
|
27.5
|
1.0
|
CG1
|
D:VAL85
|
4.1
|
32.9
|
1.0
|
CG1
|
D:VAL82
|
4.4
|
18.1
|
1.0
|
CD1
|
D:TRP89
|
4.5
|
30.3
|
1.0
|
CB
|
D:VAL82
|
4.6
|
24.5
|
1.0
|
CB
|
B:ASN43
|
4.7
|
21.8
|
1.0
|
CG
|
B:ASN43
|
4.7
|
24.6
|
1.0
|
O
|
D:HOH315
|
4.8
|
19.3
|
1.0
|
O
|
D:HOH333
|
4.8
|
28.8
|
1.0
|
CG2
|
D:VAL82
|
5.0
|
26.0
|
1.0
|
|
Iodine binding site 4 out
of 8 in 8em5
Go back to
Iodine Binding Sites List in 8em5
Iodine binding site 4 out
of 8 in the Mycobacterium Thermoresistible MMPS5
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 4 of Mycobacterium Thermoresistible MMPS5 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:I205
b:20.3
occ:0.96
|
OG
|
D:SER94
|
3.3
|
17.5
|
1.0
|
N
|
E:GLY22
|
3.4
|
14.3
|
1.0
|
N
|
E:PRO24
|
3.8
|
16.8
|
1.0
|
CB
|
D:SER94
|
3.8
|
17.1
|
1.0
|
CB
|
E:PRO48
|
3.9
|
11.2
|
1.0
|
CA
|
E:PRO24
|
3.9
|
24.7
|
1.0
|
CD
|
E:PRO24
|
4.0
|
21.0
|
1.0
|
N
|
E:THR23
|
4.0
|
18.7
|
1.0
|
N
|
E:PRO48
|
4.0
|
15.8
|
1.0
|
CG
|
E:PRO24
|
4.1
|
24.0
|
1.0
|
C
|
E:THR23
|
4.1
|
25.1
|
1.0
|
CG
|
D:PRO53
|
4.1
|
37.6
|
1.0
|
CD
|
E:PRO48
|
4.1
|
19.0
|
1.0
|
CA
|
E:PHE21
|
4.1
|
16.1
|
1.0
|
CB
|
E:PHE21
|
4.2
|
14.0
|
1.0
|
CA
|
E:PRO48
|
4.2
|
12.4
|
1.0
|
C
|
E:PHE21
|
4.3
|
17.4
|
1.0
|
C
|
E:GLY22
|
4.3
|
23.9
|
1.0
|
CB
|
E:LEU47
|
4.3
|
14.3
|
1.0
|
CG
|
E:PRO48
|
4.3
|
15.4
|
1.0
|
CA
|
E:GLY22
|
4.3
|
17.1
|
1.0
|
C
|
E:LEU47
|
4.3
|
15.8
|
1.0
|
CB
|
E:PRO24
|
4.4
|
19.6
|
1.0
|
CB
|
D:PRO53
|
4.4
|
22.6
|
1.0
|
O
|
E:THR23
|
4.4
|
18.9
|
1.0
|
O
|
E:LEU47
|
4.6
|
14.9
|
1.0
|
CA
|
E:THR23
|
4.7
|
20.3
|
1.0
|
CG2
|
D:VAL55
|
4.7
|
14.8
|
1.0
|
CA
|
E:LEU47
|
5.0
|
17.8
|
1.0
|
|
Iodine binding site 5 out
of 8 in 8em5
Go back to
Iodine Binding Sites List in 8em5
Iodine binding site 5 out
of 8 in the Mycobacterium Thermoresistible MMPS5
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 5 of Mycobacterium Thermoresistible MMPS5 within 5.0Å range:
|
Iodine binding site 6 out
of 8 in 8em5
Go back to
Iodine Binding Sites List in 8em5
Iodine binding site 6 out
of 8 in the Mycobacterium Thermoresistible MMPS5
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 6 of Mycobacterium Thermoresistible MMPS5 within 5.0Å range:
|
Iodine binding site 7 out
of 8 in 8em5
Go back to
Iodine Binding Sites List in 8em5
Iodine binding site 7 out
of 8 in the Mycobacterium Thermoresistible MMPS5
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 7 of Mycobacterium Thermoresistible MMPS5 within 5.0Å range:
|
Iodine binding site 8 out
of 8 in 8em5
Go back to
Iodine Binding Sites List in 8em5
Iodine binding site 8 out
of 8 in the Mycobacterium Thermoresistible MMPS5
Mono view
Stereo pair view
|
A full contact list of Iodine with other atoms in the I binding
site number 8 of Mycobacterium Thermoresistible MMPS5 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:I205
b:21.3
occ:0.76
|
N
|
F:GLY22
|
3.5
|
17.9
|
1.0
|
CG
|
F:PRO24
|
3.8
|
25.9
|
1.0
|
N
|
F:PRO24
|
3.8
|
20.6
|
1.0
|
CB
|
F:PRO48
|
3.9
|
16.8
|
1.0
|
CA
|
F:PRO24
|
3.9
|
21.3
|
1.0
|
N
|
F:THR23
|
4.0
|
24.6
|
1.0
|
CG
|
F:PRO48
|
4.0
|
14.4
|
1.0
|
C
|
F:THR23
|
4.0
|
17.5
|
1.0
|
N
|
F:PRO48
|
4.1
|
18.4
|
1.0
|
CD
|
F:PRO24
|
4.1
|
20.4
|
1.0
|
CB
|
F:PHE21
|
4.2
|
16.2
|
1.0
|
CA
|
F:PHE21
|
4.2
|
14.8
|
1.0
|
CD
|
F:PRO48
|
4.2
|
19.9
|
1.0
|
C
|
F:GLY22
|
4.3
|
29.7
|
1.0
|
C
|
F:PHE21
|
4.3
|
24.0
|
1.0
|
CA
|
F:PRO48
|
4.3
|
15.1
|
1.0
|
CB
|
F:PRO24
|
4.3
|
21.0
|
1.0
|
CA
|
F:GLY22
|
4.3
|
21.5
|
1.0
|
O
|
F:THR23
|
4.4
|
21.4
|
1.0
|
C
|
F:LEU47
|
4.5
|
20.9
|
1.0
|
CB
|
F:LEU47
|
4.5
|
11.4
|
1.0
|
CA
|
F:THR23
|
4.6
|
22.4
|
1.0
|
O
|
F:LEU47
|
4.8
|
21.4
|
1.0
|
O
|
F:GLY22
|
5.0
|
27.5
|
1.0
|
|
Reference:
B.J.Cuthbert,
C.W.Goulding.
Crystal Structure of Mycobacterium Thermoresistible MMPS5 To Be Published.
Page generated: Mon Aug 12 02:44:14 2024
|