Bromine in PDB 3gw6: Intramolecular Chaperone
Enzymatic activity of Intramolecular Chaperone
All present enzymatic activity of Intramolecular Chaperone:
3.2.1.129;
Protein crystallography data
The structure of Intramolecular Chaperone, PDB code: 3gw6
was solved by
E.C.Schulz,
A.Dickmanns,
R.Ficner,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
27.63 /
2.60
|
Space group
|
P 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
62.650,
79.950,
109.580,
81.71,
76.53,
87.11
|
R / Rfree (%)
|
20.9 /
25.5
|
Other elements in 3gw6:
The structure of Intramolecular Chaperone also contains other interesting chemical elements:
Bromine Binding Sites:
The binding sites of Bromine atom in the Intramolecular Chaperone
(pdb code 3gw6). This binding sites where shown within
5.0 Angstroms radius around Bromine atom.
In total 6 binding sites of Bromine where determined in the
Intramolecular Chaperone, PDB code: 3gw6:
Jump to Bromine binding site number:
1;
2;
3;
4;
5;
6;
Bromine binding site 1 out
of 6 in 3gw6
Go back to
Bromine Binding Sites List in 3gw6
Bromine binding site 1 out
of 6 in the Intramolecular Chaperone
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 1 of Intramolecular Chaperone within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br11
b:78.8
occ:1.00
|
O
|
B:HOH126
|
3.1
|
47.8
|
1.0
|
N
|
B:SER847
|
3.5
|
41.3
|
1.0
|
N
|
B:THR846
|
3.6
|
41.6
|
1.0
|
CB
|
B:SER847
|
3.6
|
41.3
|
1.0
|
CA
|
B:GLY845
|
3.8
|
38.0
|
1.0
|
OD1
|
B:ASN1000
|
3.9
|
48.3
|
1.0
|
CG2
|
B:THR846
|
3.9
|
42.8
|
1.0
|
C
|
B:GLY845
|
4.0
|
38.4
|
1.0
|
CA
|
B:SER847
|
4.2
|
41.6
|
1.0
|
CZ
|
B:PHE997
|
4.4
|
52.9
|
1.0
|
C
|
B:THR846
|
4.4
|
42.9
|
1.0
|
CA
|
B:THR846
|
4.5
|
43.2
|
1.0
|
CE1
|
B:PHE997
|
4.5
|
52.2
|
1.0
|
OG1
|
B:THR850
|
4.5
|
35.0
|
1.0
|
CB
|
B:THR846
|
4.8
|
43.3
|
1.0
|
OG
|
B:SER847
|
4.8
|
41.9
|
1.0
|
O
|
B:GLY845
|
5.0
|
39.0
|
1.0
|
|
Bromine binding site 2 out
of 6 in 3gw6
Go back to
Bromine Binding Sites List in 3gw6
Bromine binding site 2 out
of 6 in the Intramolecular Chaperone
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 2 of Intramolecular Chaperone within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br38
b:66.2
occ:1.00
|
O
|
F:HOH62
|
2.9
|
37.1
|
1.0
|
O
|
A:HOH175
|
3.2
|
43.1
|
1.0
|
O
|
F:HOH202
|
3.3
|
44.5
|
1.0
|
N
|
B:PHE955
|
3.4
|
46.6
|
1.0
|
N
|
A:VAL983
|
3.6
|
42.9
|
1.0
|
CB
|
A:ALA982
|
3.7
|
57.6
|
1.0
|
CA
|
A:GLY1038
|
3.7
|
47.6
|
1.0
|
C
|
A:ALA982
|
3.9
|
57.3
|
1.0
|
CA
|
A:VAL983
|
3.9
|
42.0
|
1.0
|
CA
|
B:HIS954
|
4.1
|
45.6
|
1.0
|
CB
|
B:PHE955
|
4.2
|
45.5
|
1.0
|
O
|
B:PHE955
|
4.2
|
46.5
|
1.0
|
CD
|
A:ARG1035
|
4.2
|
47.6
|
1.0
|
CB
|
A:VAL983
|
4.2
|
42.1
|
1.0
|
CD2
|
B:PHE955
|
4.3
|
42.8
|
1.0
|
C
|
B:HIS954
|
4.3
|
45.9
|
1.0
|
CA
|
A:ALA982
|
4.3
|
58.1
|
1.0
|
CA
|
B:PHE955
|
4.3
|
45.6
|
1.0
|
CG
|
B:PHE955
|
4.3
|
43.6
|
1.0
|
O
|
A:ALA982
|
4.4
|
57.4
|
1.0
|
CB
|
B:HIS954
|
4.5
|
45.6
|
1.0
|
NE
|
A:ARG1035
|
4.6
|
50.0
|
1.0
|
N
|
A:GLY1038
|
4.6
|
45.8
|
1.0
|
N
|
A:ALA982
|
4.7
|
59.6
|
1.0
|
C
|
B:PHE955
|
4.7
|
46.2
|
1.0
|
C
|
A:GLY1038
|
4.8
|
49.0
|
1.0
|
CG2
|
A:VAL983
|
4.8
|
43.2
|
1.0
|
O
|
F:HOH186
|
4.9
|
36.5
|
1.0
|
CB
|
A:ARG1035
|
4.9
|
44.1
|
1.0
|
O
|
B:ILE953
|
4.9
|
42.3
|
1.0
|
CD2
|
B:HIS954
|
5.0
|
44.1
|
1.0
|
|
Bromine binding site 3 out
of 6 in 3gw6
Go back to
Bromine Binding Sites List in 3gw6
Bromine binding site 3 out
of 6 in the Intramolecular Chaperone
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 3 of Intramolecular Chaperone within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Br39
b:77.4
occ:0.73
|
O
|
B:HOH136
|
2.8
|
65.3
|
1.0
|
O4
|
A:TAM32
|
3.1
|
73.4
|
1.0
|
CE1
|
B:HIS954
|
3.5
|
44.8
|
1.0
|
CB
|
B:ARG952
|
3.9
|
69.4
|
1.0
|
NE2
|
B:HIS954
|
4.0
|
43.5
|
1.0
|
N
|
B:ARG952
|
4.2
|
69.1
|
1.0
|
CB
|
B:ALA943
|
4.2
|
58.2
|
1.0
|
C4
|
A:TAM32
|
4.3
|
74.8
|
0.7
|
CD
|
B:ARG952
|
4.3
|
77.9
|
1.0
|
CG
|
B:ARG952
|
4.4
|
71.3
|
1.0
|
CA
|
B:ARG952
|
4.5
|
68.6
|
1.0
|
O
|
B:ARG952
|
4.5
|
67.2
|
1.0
|
CD1
|
B:TRP940
|
4.5
|
39.8
|
1.0
|
NH1
|
B:ARG952
|
4.6
|
88.8
|
1.0
|
ND1
|
B:HIS954
|
4.7
|
43.4
|
1.0
|
C
|
B:ARG952
|
4.9
|
67.0
|
1.0
|
|
Bromine binding site 4 out
of 6 in 3gw6
Go back to
Bromine Binding Sites List in 3gw6
Bromine binding site 4 out
of 6 in the Intramolecular Chaperone
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 4 of Intramolecular Chaperone within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Br36
b:61.5
occ:1.00
|
O
|
E:HOH88
|
2.9
|
48.4
|
1.0
|
O
|
C:HOH149
|
2.9
|
44.8
|
1.0
|
N
|
E:PHE955
|
3.4
|
43.1
|
1.0
|
CA
|
C:GLY1038
|
3.7
|
49.8
|
1.0
|
N
|
C:VAL983
|
3.8
|
48.0
|
1.0
|
CD2
|
E:PHE955
|
3.9
|
43.9
|
1.0
|
CB
|
E:PHE955
|
4.0
|
44.1
|
1.0
|
CA
|
C:VAL983
|
4.0
|
46.6
|
1.0
|
CB
|
C:ALA982
|
4.0
|
48.6
|
1.0
|
CB
|
C:VAL983
|
4.1
|
46.9
|
1.0
|
CD
|
C:ARG1035
|
4.1
|
42.9
|
1.0
|
CG
|
E:PHE955
|
4.1
|
44.8
|
1.0
|
C
|
C:ALA982
|
4.1
|
47.5
|
1.0
|
CA
|
E:PHE955
|
4.2
|
43.8
|
1.0
|
CA
|
E:HIS954
|
4.2
|
43.0
|
1.0
|
C
|
E:HIS954
|
4.2
|
43.1
|
1.0
|
O
|
E:PHE955
|
4.4
|
44.6
|
1.0
|
N
|
C:GLY1038
|
4.5
|
47.9
|
1.0
|
CB
|
E:HIS954
|
4.5
|
42.8
|
1.0
|
CA
|
C:ALA982
|
4.6
|
48.7
|
1.0
|
O
|
C:ALA982
|
4.7
|
47.0
|
1.0
|
C
|
E:PHE955
|
4.7
|
44.3
|
1.0
|
CE2
|
E:PHE955
|
4.8
|
47.0
|
1.0
|
CG2
|
C:VAL983
|
4.8
|
47.0
|
1.0
|
CD2
|
E:HIS954
|
4.8
|
39.4
|
1.0
|
NE
|
C:ARG1035
|
4.8
|
43.5
|
1.0
|
CB
|
C:ARG1035
|
4.8
|
39.4
|
1.0
|
C
|
C:GLY1038
|
4.9
|
51.8
|
1.0
|
N
|
C:ALA982
|
4.9
|
50.0
|
1.0
|
|
Bromine binding site 5 out
of 6 in 3gw6
Go back to
Bromine Binding Sites List in 3gw6
Bromine binding site 5 out
of 6 in the Intramolecular Chaperone
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 5 of Intramolecular Chaperone within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Br8
b:64.6
occ:1.00
|
O
|
C:HOH176
|
3.4
|
54.7
|
1.0
|
N
|
C:PHE955
|
3.5
|
54.8
|
1.0
|
N
|
D:VAL983
|
3.6
|
42.5
|
1.0
|
CA
|
D:GLY1038
|
3.7
|
41.0
|
1.0
|
C
|
D:ALA982
|
3.8
|
50.1
|
1.0
|
CA
|
D:VAL983
|
3.9
|
42.9
|
1.0
|
CA
|
C:HIS954
|
3.9
|
55.9
|
1.0
|
CB
|
D:ALA982
|
3.9
|
50.5
|
1.0
|
CD
|
D:ARG1035
|
4.1
|
48.5
|
1.0
|
CB
|
C:HIS954
|
4.1
|
56.0
|
1.0
|
CB
|
D:VAL983
|
4.1
|
43.0
|
1.0
|
O
|
D:ALA982
|
4.2
|
49.9
|
1.0
|
C
|
C:HIS954
|
4.2
|
55.2
|
1.0
|
CD2
|
C:PHE955
|
4.4
|
50.6
|
1.0
|
CA
|
D:ALA982
|
4.4
|
50.9
|
1.0
|
CA
|
C:PHE955
|
4.4
|
53.0
|
1.0
|
CB
|
C:PHE955
|
4.4
|
52.9
|
1.0
|
CG
|
C:PHE955
|
4.5
|
51.4
|
1.0
|
O
|
C:PHE955
|
4.5
|
52.2
|
1.0
|
N
|
D:GLY1038
|
4.6
|
40.8
|
1.0
|
CB
|
D:ARG1035
|
4.7
|
49.3
|
1.0
|
NE
|
D:ARG1035
|
4.7
|
47.0
|
1.0
|
C
|
D:GLY1038
|
4.8
|
41.5
|
1.0
|
O
|
C:ILE953
|
4.8
|
50.2
|
1.0
|
N
|
D:ALA982
|
4.8
|
52.1
|
1.0
|
CG2
|
D:VAL983
|
4.9
|
41.1
|
1.0
|
C
|
C:PHE955
|
4.9
|
52.5
|
1.0
|
CG
|
C:HIS954
|
5.0
|
56.8
|
1.0
|
CG
|
D:ARG1035
|
5.0
|
48.0
|
1.0
|
|
Bromine binding site 6 out
of 6 in 3gw6
Go back to
Bromine Binding Sites List in 3gw6
Bromine binding site 6 out
of 6 in the Intramolecular Chaperone
Mono view
Stereo pair view
|
A full contact list of Bromine with other atoms in the Br binding
site number 6 of Intramolecular Chaperone within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Br37
b:68.5
occ:1.00
|
N
|
A:PHE955
|
3.6
|
44.8
|
1.0
|
CA
|
F:GLY1038
|
3.6
|
62.7
|
1.0
|
N
|
F:VAL983
|
3.8
|
39.5
|
1.0
|
CD
|
F:ARG1035
|
4.0
|
46.7
|
1.0
|
CG2
|
F:VAL983
|
4.0
|
40.4
|
1.0
|
CB
|
A:PHE955
|
4.0
|
44.8
|
1.0
|
CA
|
F:VAL983
|
4.1
|
39.7
|
1.0
|
CB
|
F:ALA982
|
4.1
|
41.8
|
1.0
|
C
|
F:ALA982
|
4.1
|
41.5
|
1.0
|
CD2
|
A:PHE955
|
4.1
|
40.4
|
1.0
|
CG1
|
F:VAL983
|
4.2
|
39.1
|
1.0
|
CG
|
A:PHE955
|
4.2
|
43.2
|
1.0
|
CA
|
A:PHE955
|
4.3
|
44.8
|
1.0
|
CB
|
F:VAL983
|
4.3
|
40.0
|
1.0
|
O
|
A:PHE955
|
4.4
|
46.7
|
1.0
|
N
|
F:GLY1038
|
4.4
|
62.3
|
1.0
|
CA
|
A:HIS954
|
4.4
|
44.4
|
1.0
|
C
|
A:HIS954
|
4.5
|
44.6
|
1.0
|
CB
|
F:ARG1035
|
4.5
|
43.4
|
1.0
|
O
|
F:ALA982
|
4.5
|
41.9
|
1.0
|
ND2
|
B:ASN906
|
4.6
|
66.8
|
1.0
|
CA
|
F:ALA982
|
4.6
|
42.6
|
1.0
|
NE
|
F:ARG1035
|
4.6
|
50.3
|
1.0
|
C
|
F:GLY1038
|
4.7
|
63.5
|
1.0
|
O
|
B:HOH69
|
4.7
|
48.2
|
1.0
|
C
|
A:PHE955
|
4.8
|
45.4
|
1.0
|
CG
|
F:ARG1035
|
4.9
|
45.7
|
1.0
|
CD2
|
A:HIS954
|
4.9
|
41.3
|
1.0
|
CB
|
A:HIS954
|
4.9
|
43.7
|
1.0
|
N
|
F:ALA982
|
4.9
|
44.8
|
1.0
|
CE2
|
A:PHE955
|
5.0
|
43.5
|
1.0
|
|
Reference:
E.C.Schulz,
A.Dickmanns,
H.Urlaub,
A.Schmitt,
M.Muhlenhoff,
K.Stummeyer,
D.Schwarzer,
R.Gerardy-Schahn,
R.Ficner.
Crystal Structure of An Intramolecular Chaperone Mediating Triple-Beta-Helix Folding. Nat.Struct.Mol.Biol. V. 17 210 2010.
ISSN: ISSN 1545-9993
PubMed: 20118935
DOI: 10.1038/NSMB.1746
Page generated: Wed Jul 10 19:39:32 2024
|