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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Intramolecular Chaperone (pdb code 3gw6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Intramolecular Chaperone, PDB code: 3gw6:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in 3gw6

Go back to Chlorine Binding Sites List in 3gw6
Chlorine binding site 1 out of 6 in the Intramolecular Chaperone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Intramolecular Chaperone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl40

b:45.0
occ:1.00
 O A:HOH222 2.9 57.8 1.0
N A:SER847 3.4 40.7 1.0
CB A:SER847 3.5 38.9 1.0
N A:THR846 3.6 44.5 1.0
CA A:GLY845 3.8 28.8 1.0
C A:GLY845 3.9 29.8 1.0
CG2 A:THR846 4.1 45.6 1.0
CA A:SER847 4.1 39.2 1.0
CZ A:PHE997 4.3 48.3 1.0
C A:THR846 4.4 46.2 1.0
CA A:THR846 4.5 45.8 1.0
CE1 A:PHE997 4.6 48.4 1.0
OG A:SER847 4.6 40.0 1.0
ND2 A:ASN1000 4.7 71.5 1.0
O A:GLY845 4.8 29.5 1.0
CB A:THR846 4.8 46.4 1.0
CE2 A:PHE997 4.9 49.3 1.0
OG1 A:THR850 4.9 45.6 1.0
O A:SER847 5.0 38.0 1.0

Chlorine binding site 2 out of 6 in 3gw6

Go back to Chlorine Binding Sites List in 3gw6
Chlorine binding site 2 out of 6 in the Intramolecular Chaperone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Intramolecular Chaperone within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl42

b:61.9
occ:1.00
 N E:SER847 3.5 32.2 1.0
CB E:SER847 3.6 31.4 1.0
N E:THR846 3.6 43.0 1.0
CA E:GLY845 3.8 34.0 1.0
C E:GLY845 4.0 34.1 1.0
CG2 E:THR846 4.1 46.3 1.0
CA E:SER847 4.1 31.4 1.0
CZ E:PHE997 4.2 54.6 1.0
C E:THR846 4.4 43.2 1.0
CA E:THR846 4.4 44.2 1.0
OG1 E:THR850 4.4 44.1 1.0
CE2 E:PHE997 4.6 54.9 1.0
CE1 E:PHE997 4.7 54.0 1.0
O4 E:PEG33 4.7 80.6 1.0
CB E:THR846 4.8 45.5 1.0
OG E:SER847 4.8 32.1 1.0
O E:GLY845 4.9 33.8 1.0
N E:GLY845 5.0 35.1 1.0
OD1 E:ASN1000 5.0 71.3 1.0

Chlorine binding site 3 out of 6 in 3gw6

Go back to Chlorine Binding Sites List in 3gw6
Chlorine binding site 3 out of 6 in the Intramolecular Chaperone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Intramolecular Chaperone within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl9

b:41.3
occ:1.00
 N C:SER847 3.5 38.1 1.0
CB C:SER847 3.5 38.5 1.0
N C:THR846 3.7 42.7 1.0
ND2 C:ASN1000 3.7 38.6 1.0
CA C:GLY845 4.0 32.5 1.0
CA C:SER847 4.2 38.2 1.0
CG2 C:THR846 4.2 42.4 1.0
C C:GLY845 4.2 32.8 1.0
CZ C:PHE997 4.3 36.3 1.0
C C:THR846 4.5 44.0 1.0
CA C:THR846 4.5 44.0 1.0
CG C:ASN1000 4.6 39.6 1.0
OD1 C:ASN1000 4.6 42.2 1.0
CE2 C:PHE997 4.7 38.3 1.0
CB C:THR846 4.8 44.2 1.0
OG C:SER847 4.8 40.3 1.0
CE1 C:PHE997 4.8 37.5 1.0
OG1 C:THR850 5.0 42.5 1.0

Chlorine binding site 4 out of 6 in 3gw6

Go back to Chlorine Binding Sites List in 3gw6
Chlorine binding site 4 out of 6 in the Intramolecular Chaperone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Intramolecular Chaperone within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl12

b:66.0
occ:1.00
 CG C:ARG952 3.8 69.9 1.0
CE1 C:HIS954 3.9 59.8 1.0
N C:ARG952 3.9 66.8 1.0
CB C:ARG952 3.9 67.7 1.0
NE2 C:HIS954 4.0 59.1 1.0
CB C:ALA943 4.0 53.8 1.0
NE C:ARG952 4.3 78.1 1.0
CD C:ARG952 4.3 74.1 1.0
CA C:ARG952 4.4 66.8 1.0
O D:HOH160 4.6 44.9 1.0
CD1 C:TRP940 4.6 42.0 1.0
O C:ARG952 4.7 65.3 1.0
C C:ALA951 4.9 60.7 1.0
C C:ARG952 4.9 65.8 1.0

Chlorine binding site 5 out of 6 in 3gw6

Go back to Chlorine Binding Sites List in 3gw6
Chlorine binding site 5 out of 6 in the Intramolecular Chaperone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Intramolecular Chaperone within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl10

b:42.0
occ:1.00
 N D:PHE955 3.5 69.8 1.0
O E:HOH110 3.5 54.7 1.0
N E:VAL983 3.6 46.3 1.0
CA E:GLY1038 3.8 56.3 1.0
CB E:ALA982 3.9 49.6 1.0
CA E:VAL983 3.9 46.0 1.0
C E:ALA982 4.0 48.2 1.0
CA D:HIS954 4.1 73.2 1.0
CD E:ARG1035 4.1 60.7 1.0
C D:HIS954 4.3 73.2 1.0
CB E:VAL983 4.3 46.1 1.0
CB D:PHE955 4.3 69.1 1.0
CA D:PHE955 4.4 69.1 1.0
O D:PHE955 4.4 69.2 1.0
CA E:ALA982 4.4 49.6 1.0
CG D:PHE955 4.4 68.8 1.0
CB D:HIS954 4.5 72.8 1.0
CD2 D:PHE955 4.5 68.7 1.0
O E:ALA982 4.5 48.0 1.0
CD2 D:HIS954 4.5 72.4 1.0
ND2 C:ASN906 4.7 55.5 1.0
N E:GLY1038 4.7 54.9 1.0
NE E:ARG1035 4.7 62.8 1.0
CB E:ARG1035 4.8 57.1 1.0
O D:ILE953 4.8 76.6 1.0
N E:ALA982 4.8 51.1 1.0
CG D:HIS954 4.8 72.7 1.0
C D:PHE955 4.8 69.1 1.0
C E:GLY1038 4.9 57.6 1.0
CG2 E:VAL983 5.0 44.8 1.0

Chlorine binding site 6 out of 6 in 3gw6

Go back to Chlorine Binding Sites List in 3gw6
Chlorine binding site 6 out of 6 in the Intramolecular Chaperone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Intramolecular Chaperone within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl41

b:45.5
occ:1.00
 O C:HOH218 2.9 57.8 1.0
NZ D:LYS916 3.4 45.6 1.0
N C:ALA959 3.6 51.1 1.0
CG2 C:ILE958 3.7 41.8 1.0
CA C:ILE958 3.9 42.9 1.0
CE D:LYS916 4.1 48.1 1.0
CD1 C:ILE958 4.2 42.9 1.0
C C:ILE958 4.3 43.5 1.0
CD D:LYS916 4.3 47.4 1.0
CB C:ALA959 4.3 52.4 1.0
CB C:ILE958 4.4 42.7 1.0
O D:HOH119 4.4 61.0 1.0
CA C:ALA959 4.5 52.5 1.0
O C:VAL957 4.8 42.5 1.0
CB D:ALA911 4.8 42.3 1.0
CG1 C:ILE958 4.9 42.0 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: Sat Dec 12 09:44:54 2020

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