Iodine in PDB 6fro: Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Iodide.
Enzymatic activity of Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Iodide.
All present enzymatic activity of Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Iodide.:
3.2.1.17;
Protein crystallography data
The structure of Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Iodide., PDB code: 6fro
was solved by
S.Engilberge,
F.Riobe,
S.Di Pietro,
E.Girard,
E.Dumont,
O.Maury,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
39.41 /
1.42
|
Space group
|
P 43 21 2
|
Cell size a, b, c (Å), α, β, γ (°)
|
78.832,
78.832,
35.360,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
25.7 /
27.6
|
Other elements in 6fro:
The structure of Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Iodide. also contains other interesting chemical elements:
Iodine Binding Sites:
The binding sites of Iodine atom in the Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Iodide.
(pdb code 6fro). This binding sites where shown within
5.0 Angstroms radius around Iodine atom.
In total 5 binding sites of Iodine where determined in the
Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Iodide., PDB code: 6fro:
Jump to Iodine binding site number:
1;
2;
3;
4;
5;
Iodine binding site 1 out
of 5 in 6fro
Go back to
Iodine Binding Sites List in 6fro
Iodine binding site 1 out
of 5 in the Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Iodide.
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 Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Iodide. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I202
b:28.0
occ:0.50
|
H051
|
A:7MT208
|
3.0
|
16.7
|
0.8
|
HA3
|
A:GLY102
|
3.0
|
22.0
|
1.0
|
C
|
A:GLY102
|
3.4
|
22.8
|
1.0
|
H072
|
A:7MT208
|
3.4
|
20.2
|
0.8
|
N06
|
A:7MT208
|
3.5
|
14.6
|
0.8
|
HB3
|
A:ASN103
|
3.5
|
16.7
|
1.0
|
O
|
A:GLY102
|
3.6
|
21.2
|
1.0
|
N
|
A:ASN103
|
3.7
|
16.9
|
1.0
|
C05
|
A:7MT208
|
3.7
|
17.2
|
0.8
|
CA
|
A:GLY102
|
3.7
|
21.1
|
1.0
|
C07
|
A:7MT208
|
3.8
|
19.9
|
0.8
|
HA
|
A:ASN103
|
3.8
|
13.8
|
1.0
|
H071
|
A:7MT208
|
3.8
|
19.0
|
0.8
|
H
|
A:ASN103
|
4.0
|
16.4
|
1.0
|
H052
|
A:7MT208
|
4.1
|
17.3
|
0.8
|
CA
|
A:ASN103
|
4.2
|
13.5
|
1.0
|
CB
|
A:ASN103
|
4.4
|
17.0
|
1.0
|
HA2
|
A:GLY102
|
4.4
|
22.3
|
1.0
|
N
|
A:GLY102
|
4.8
|
21.3
|
1.0
|
H041
|
A:7MT208
|
4.8
|
18.4
|
0.8
|
O26
|
A:7MT208
|
4.9
|
16.6
|
0.8
|
H
|
A:GLY102
|
4.9
|
22.8
|
1.0
|
C04
|
A:7MT208
|
4.9
|
18.5
|
0.8
|
HB2
|
A:ASN103
|
5.0
|
14.6
|
1.0
|
|
Iodine binding site 2 out
of 5 in 6fro
Go back to
Iodine Binding Sites List in 6fro
Iodine binding site 2 out
of 5 in the Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Iodide.
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 Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Iodide. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I203
b:35.2
occ:0.60
|
HG
|
A:SER24
|
2.4
|
26.1
|
1.0
|
H
|
A:GLY26
|
2.4
|
20.7
|
1.0
|
HA
|
A:GLN121
|
2.5
|
22.8
|
1.0
|
HB2
|
A:GLN121
|
2.7
|
24.4
|
1.0
|
HB2
|
A:SER24
|
2.9
|
22.7
|
1.0
|
HA3
|
A:GLY26
|
3.0
|
17.7
|
1.0
|
O
|
A:HOH332
|
3.1
|
33.8
|
1.0
|
OG
|
A:SER24
|
3.2
|
26.0
|
1.0
|
N
|
A:GLY26
|
3.3
|
19.0
|
1.0
|
HG23
|
A:VAL120
|
3.4
|
22.4
|
1.0
|
CA
|
A:GLN121
|
3.4
|
23.2
|
1.0
|
HG12
|
A:ILE124
|
3.5
|
28.7
|
1.0
|
CB
|
A:GLN121
|
3.6
|
25.4
|
1.0
|
CB
|
A:SER24
|
3.6
|
22.2
|
1.0
|
CA
|
A:GLY26
|
3.7
|
17.4
|
1.0
|
HD11
|
A:ILE124
|
3.8
|
42.1
|
1.0
|
N
|
A:GLN121
|
3.9
|
21.1
|
1.0
|
HD13
|
A:ILE124
|
4.0
|
41.7
|
1.0
|
HB3
|
A:GLN121
|
4.2
|
24.3
|
1.0
|
HB3
|
A:LEU25
|
4.2
|
23.0
|
1.0
|
CD1
|
A:ILE124
|
4.2
|
42.5
|
1.0
|
H
|
A:GLN121
|
4.3
|
20.4
|
1.0
|
HB3
|
A:SER24
|
4.3
|
21.1
|
1.0
|
N
|
A:LEU25
|
4.3
|
21.8
|
1.0
|
C
|
A:VAL120
|
4.3
|
23.0
|
1.0
|
HA2
|
A:GLY26
|
4.3
|
18.0
|
1.0
|
O
|
A:VAL120
|
4.3
|
22.5
|
1.0
|
H
|
A:LEU25
|
4.3
|
22.4
|
1.0
|
CG1
|
A:ILE124
|
4.3
|
30.1
|
1.0
|
H
|
A:ASN27
|
4.4
|
15.7
|
1.0
|
C
|
A:SER24
|
4.4
|
21.8
|
1.0
|
CG2
|
A:VAL120
|
4.4
|
21.8
|
1.0
|
C
|
A:LEU25
|
4.5
|
22.4
|
1.0
|
HG3
|
A:GLN121
|
4.5
|
44.0
|
1.0
|
CA
|
A:SER24
|
4.6
|
18.6
|
1.0
|
C
|
A:GLN121
|
4.6
|
29.1
|
1.0
|
CG
|
A:GLN121
|
4.7
|
42.9
|
1.0
|
HG23
|
A:ILE124
|
4.7
|
25.9
|
1.0
|
HG21
|
A:ILE124
|
4.7
|
27.2
|
1.0
|
C
|
A:GLY26
|
4.7
|
18.3
|
1.0
|
CA
|
A:LEU25
|
4.8
|
21.1
|
1.0
|
HG21
|
A:VAL120
|
4.8
|
21.3
|
1.0
|
O
|
A:SER24
|
4.8
|
21.2
|
1.0
|
O
|
A:GLN121
|
4.8
|
32.5
|
1.0
|
N
|
A:ASN27
|
4.9
|
16.1
|
1.0
|
HG13
|
A:ILE124
|
4.9
|
30.8
|
1.0
|
HG22
|
A:VAL120
|
5.0
|
21.9
|
1.0
|
HB
|
A:VAL120
|
5.0
|
21.9
|
1.0
|
|
Iodine binding site 3 out
of 5 in 6fro
Go back to
Iodine Binding Sites List in 6fro
Iodine binding site 3 out
of 5 in the Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Iodide.
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 Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Iodide. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I204
b:41.0
occ:0.50
|
H
|
A:ILE88
|
2.8
|
31.5
|
1.0
|
HG12
|
A:ILE88
|
2.8
|
31.5
|
1.0
|
HE1
|
A:HIS15
|
2.9
|
45.8
|
1.0
|
HA
|
A:ASP87
|
3.2
|
35.0
|
1.0
|
HZ
|
A:PHE3
|
3.3
|
36.6
|
1.0
|
HB1
|
A:ALA11
|
3.3
|
35.3
|
1.0
|
HG23
|
A:ILE88
|
3.7
|
30.7
|
1.0
|
O
|
A:HOH414
|
3.8
|
21.6
|
1.0
|
N
|
A:ILE88
|
3.8
|
30.7
|
1.0
|
CE1
|
A:HIS15
|
3.8
|
45.5
|
1.0
|
CG1
|
A:ILE88
|
3.9
|
29.8
|
1.0
|
HB2
|
A:ALA11
|
4.1
|
37.2
|
1.0
|
CB
|
A:ALA11
|
4.2
|
35.5
|
1.0
|
HE1
|
A:PHE3
|
4.2
|
40.4
|
1.0
|
CA
|
A:ASP87
|
4.3
|
33.9
|
1.0
|
CZ
|
A:PHE3
|
4.3
|
35.9
|
1.0
|
O
|
A:SER86
|
4.3
|
36.8
|
1.0
|
HG13
|
A:ILE88
|
4.4
|
30.5
|
1.0
|
OD2
|
A:ASP87
|
4.5
|
42.2
|
1.0
|
C
|
A:ASP87
|
4.5
|
34.7
|
1.0
|
CG2
|
A:ILE88
|
4.6
|
29.0
|
1.0
|
HD13
|
A:ILE88
|
4.6
|
31.6
|
1.0
|
CB
|
A:ILE88
|
4.6
|
28.6
|
1.0
|
HD11
|
A:ILE88
|
4.6
|
33.6
|
1.0
|
NE2
|
A:HIS15
|
4.6
|
46.6
|
1.0
|
CD1
|
A:ILE88
|
4.7
|
32.0
|
1.0
|
ND1
|
A:HIS15
|
4.7
|
44.5
|
1.0
|
CE1
|
A:PHE3
|
4.7
|
38.3
|
1.0
|
HD1
|
A:HIS15
|
4.7
|
43.6
|
1.0
|
CA
|
A:ILE88
|
4.8
|
27.6
|
1.0
|
HA
|
A:ALA11
|
4.8
|
38.0
|
1.0
|
HB3
|
A:ALA11
|
4.8
|
33.5
|
1.0
|
HG21
|
A:ILE88
|
5.0
|
28.4
|
1.0
|
H
|
A:THR89
|
5.0
|
34.5
|
1.0
|
|
Iodine binding site 4 out
of 5 in 6fro
Go back to
Iodine Binding Sites List in 6fro
Iodine binding site 4 out
of 5 in the Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Iodide.
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 Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Iodide. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I205
b:22.2
occ:0.70
|
H292
|
A:7MT208
|
3.1
|
22.9
|
0.8
|
HH2
|
A:TRP62
|
3.4
|
43.8
|
1.0
|
O27
|
A:7MT208
|
3.8
|
24.7
|
0.8
|
CH2
|
A:TRP62
|
3.9
|
41.8
|
1.0
|
C18
|
A:7MT208
|
3.9
|
24.0
|
0.8
|
C29
|
A:7MT208
|
4.0
|
22.7
|
0.8
|
H291
|
A:7MT208
|
4.0
|
22.8
|
0.8
|
H032
|
A:7MT208
|
4.1
|
25.2
|
0.8
|
HZ3
|
A:TRP62
|
4.2
|
43.1
|
1.0
|
CZ3
|
A:TRP62
|
4.3
|
41.2
|
1.0
|
C16
|
A:7MT208
|
4.4
|
25.8
|
0.8
|
O28
|
A:7MT208
|
4.4
|
21.8
|
0.8
|
H151
|
A:7MT208
|
4.4
|
25.5
|
0.8
|
C15
|
A:7MT208
|
4.6
|
26.1
|
0.8
|
CZ2
|
A:TRP62
|
4.7
|
39.5
|
1.0
|
C11
|
A:7MT208
|
4.7
|
21.1
|
0.8
|
H031
|
A:7MT208
|
4.8
|
25.5
|
0.8
|
C03
|
A:7MT208
|
4.8
|
25.4
|
0.8
|
HZ2
|
A:TRP62
|
4.9
|
40.1
|
1.0
|
H191
|
A:7MT208
|
4.9
|
18.8
|
0.8
|
N09
|
A:7MT208
|
5.0
|
24.4
|
0.8
|
|
Iodine binding site 5 out
of 5 in 6fro
Go back to
Iodine Binding Sites List in 6fro
Iodine binding site 5 out
of 5 in the Crystal Structure of Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Iodide.
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 Hen Egg-White Lysozyme Co-Crystallized in Presence of 100 Mm Tb-XO4 and 100 Mm Potassium Iodide. within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:I206
b:43.6
occ:0.60
|
H291
|
A:7MT208
|
3.4
|
22.8
|
0.8
|
H081
|
A:7MT208
|
4.1
|
23.2
|
0.8
|
C29
|
A:7MT208
|
4.4
|
22.7
|
0.8
|
H031
|
A:7MT208
|
4.4
|
25.5
|
0.8
|
H191
|
A:7MT208
|
4.5
|
18.8
|
0.8
|
H292
|
A:7MT208
|
4.7
|
22.9
|
0.8
|
C08
|
A:7MT208
|
4.8
|
23.0
|
0.8
|
H082
|
A:7MT208
|
4.9
|
23.1
|
0.8
|
N09
|
A:7MT208
|
5.0
|
24.4
|
0.8
|
|
Reference:
S.Engilberge,
F.Riobe,
T.Wagner,
S.Di Pietro,
C.Breyton,
B.Franzetti,
S.Shima,
E.Girard,
E.Dumont,
O.Maury.
Unveiling the Binding Modes of the Crystallophore, A Terbium-Based Nucleating and Phasing Molecular Agent For Protein Crystallography. Chemistry V. 24 9739 2018.
ISSN: ISSN 1521-3765
PubMed: 29806881
DOI: 10.1002/CHEM.201802172
Page generated: Sun Aug 11 23:11:04 2024
|