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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:

Chlorine (Cl) 6 atoms
Calcium (Ca) 1 atom

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

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