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Chlorine in PDB 4gcb: 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl

Enzymatic activity of 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl

All present enzymatic activity of 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl:
3.2.1.17;

Protein crystallography data

The structure of 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl, PDB code: 4gcb was solved by J.R.Helliwell, S.W.M.Tanley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.71 / 1.80
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.780, 78.780, 36.987, 90.00, 90.00, 90.00
R / Rfree (%) 17.4 / 21

Other elements in 4gcb:

The structure of 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl also contains other interesting chemical elements:

Platinum (Pt) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl (pdb code 4gcb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl, PDB code: 4gcb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Chlorine binding site 1 out of 9 in 4gcb

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Chlorine binding site 1 out of 9 in the 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:10.6
occ:1.00
 O A:HOH311 3.1 6.1 1.0
O A:HOH327 3.2 14.6 1.0
N A:THR69 3.3 10.0 1.0
OG A:SER72 3.4 10.4 1.0
O A:THR69 3.5 8.7 1.0
O A:HOH344 3.5 15.3 1.0
N A:ARG68 3.5 10.1 1.0
C A:GLY67 3.5 9.8 1.0
CA A:GLY67 3.6 9.4 1.0
OD1 A:ASN65 3.6 8.7 1.0
N A:GLY67 3.7 8.6 1.0
C A:THR69 3.8 10.7 1.0
CA A:THR69 3.9 10.4 1.0
O A:HOH323 4.0 9.9 1.0
OD1 A:ASP66 4.0 7.2 1.0
O A:GLY67 4.2 11.0 1.0
CB A:THR69 4.3 9.6 1.0
C A:ARG68 4.3 12.1 1.0
CA A:ARG68 4.3 11.9 1.0
N A:PRO70 4.6 12.2 1.0
CB A:SER72 4.7 11.4 1.0
OG1 A:THR69 4.8 9.8 1.0
C A:ASP66 4.8 8.6 1.0
CG A:ASN65 4.8 8.3 1.0
N A:ASP66 4.9 7.7 1.0

Chlorine binding site 2 out of 9 in 4gcb

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Chlorine binding site 2 out of 9 in the 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:20.3
occ:1.00
 OG A:SER24 3.0 11.3 1.0
N A:GLY26 3.2 8.9 1.0
CA A:GLY26 3.5 9.1 1.0
CB A:SER24 3.5 10.4 1.0
CA A:GLN121 3.6 14.9 1.0
CD1 A:ILE124 3.7 14.5 1.0
N A:GLN121 4.0 13.7 1.0
CB A:GLN121 4.0 18.2 1.0
CG1 A:ILE124 4.1 13.9 1.0
CG A:GLN121 4.2 24.0 1.0
CG2 A:VAL120 4.3 12.8 1.0
C A:VAL120 4.3 12.1 1.0
O A:VAL120 4.3 12.9 1.0
N A:LEU25 4.4 10.5 1.0
C A:LEU25 4.4 10.3 1.0
C A:SER24 4.4 10.4 1.0
C A:GLY26 4.5 8.5 1.0
CA A:SER24 4.6 10.1 1.0
N A:ASN27 4.6 8.4 1.0
C A:GLN121 4.8 13.1 1.0
CA A:LEU25 4.9 10.4 1.0
O A:SER24 4.9 10.7 1.0

Chlorine binding site 3 out of 9 in 4gcb

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Chlorine binding site 3 out of 9 in the 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:12.3
occ:1.00
 OH A:TYR23 3.0 7.6 1.0
CZ A:TYR23 3.7 7.4 1.0
CE2 A:TYR23 3.7 7.1 1.0
CA A:GLY104 4.1 8.5 1.0
O A:ARG21 4.6 9.3 1.0
N A:GLY104 4.6 8.8 1.0
CE1 A:TYR23 4.8 7.5 1.0
CD2 A:TYR23 4.9 7.5 1.0

Chlorine binding site 4 out of 9 in 4gcb

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Chlorine binding site 4 out of 9 in the 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:32.4
occ:1.00
 CE2 A:PHE38 3.7 8.3 1.0
C1 A:DMS211 3.7 51.4 1.0
O A:HOH390 3.8 25.2 1.0
CZ3 A:TRP123 3.9 12.2 1.0
NZ A:LYS33 4.1 15.8 1.0
CD A:ARG5 4.2 17.4 1.0
CB A:ARG5 4.3 15.4 1.0
CZ A:PHE38 4.4 8.3 1.0
CD A:LYS33 4.4 11.4 1.0
CE A:LYS33 4.6 13.2 1.0
CD2 A:PHE38 4.6 8.9 1.0
CG A:ARG5 4.7 16.0 1.0
CH2 A:TRP123 4.7 11.9 1.0
CE3 A:TRP123 4.8 11.2 1.0
NE A:ARG5 4.8 18.5 1.0

Chlorine binding site 5 out of 9 in 4gcb

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Chlorine binding site 5 out of 9 in the 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:21.4
occ:1.00
 O A:HOH314 3.1 12.7 1.0
ND2 A:ASN65 3.3 9.6 1.0
CB A:PRO79 3.6 10.6 1.0
CA A:PRO79 3.7 9.7 1.0
CB A:ASN65 4.0 7.9 1.0
N A:PRO79 4.0 10.8 1.0
CG A:ASN65 4.1 8.3 1.0
CG A:PRO79 4.2 11.5 1.0
O A:ASN65 4.3 8.6 1.0
CD A:PRO79 4.4 11.4 1.0
C A:ILE78 4.6 11.0 1.0
O A:ILE78 4.7 9.9 1.0
ND2 A:ASN74 4.9 9.7 1.0
C A:ASN65 4.9 7.4 1.0
CA A:ASN65 4.9 8.1 1.0

Chlorine binding site 6 out of 9 in 4gcb

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Chlorine binding site 6 out of 9 in the 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:24.6
occ:1.00
 ND2 A:ASN74 3.2 9.7 1.0
CB A:ASN74 3.8 10.2 1.0
CB A:ASN65 3.8 7.9 1.0
CG A:ASN74 4.0 9.4 1.0
CG A:ASN65 4.0 8.3 1.0
OD1 A:ASN65 4.3 8.7 1.0
O A:HOH323 4.4 9.9 1.0
ND2 A:ASN65 4.5 9.6 1.0
O A:HOH314 4.8 12.7 1.0
O A:HOH344 4.9 15.3 1.0

Chlorine binding site 7 out of 9 in 4gcb

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Chlorine binding site 7 out of 9 in the 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:37.5
occ:1.00
 CL2 A:CPT208 0.0 37.5 1.0
PT1 A:CPT208 2.5 20.7 0.5
ND1 A:HIS15 3.0 22.6 1.0
OD1 A:ASN93 3.2 20.6 1.0
CL1 A:CPT208 3.3 43.5 1.0
CB A:HIS15 3.5 19.5 1.0
CG A:HIS15 3.6 20.5 1.0
O A:HIS15 3.7 16.7 1.0
O A:HOH363 3.8 32.7 1.0
CG2 A:THR89 3.9 16.2 1.0
CG1 A:VAL92 4.0 9.7 1.0
O A:THR89 4.0 9.4 1.0
N1 A:CPT208 4.0 33.9 1.0
CE1 A:HIS15 4.1 23.5 1.0
CA A:HIS15 4.1 18.4 1.0
CG A:ASN93 4.1 16.5 1.0
CB A:VAL92 4.2 9.2 1.0
CA A:THR89 4.2 11.9 1.0
C A:HIS15 4.3 17.3 1.0
CB A:THR89 4.5 13.8 1.0
OG1 A:THR89 4.5 14.7 1.0
C A:THR89 4.5 11.3 1.0
ND2 A:ASN93 4.6 18.3 1.0
N A:ASN93 4.7 10.9 1.0
NZ A:LYS96 4.7 13.9 1.0
CD2 A:HIS15 4.8 19.7 1.0

Chlorine binding site 8 out of 9 in 4gcb

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Chlorine binding site 8 out of 9 in the 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:43.5
occ:1.00
 CL1 A:CPT208 0.0 43.5 1.0
PT1 A:CPT208 2.4 20.7 0.5
N1 A:CPT208 2.9 33.9 1.0
CL2 A:CPT208 3.3 37.5 1.0
ND1 A:HIS15 4.5 22.6 1.0
O A:HOH363 4.5 32.7 1.0
OD1 A:ASN93 4.9 20.6 1.0

Chlorine binding site 9 out of 9 in 4gcb

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Chlorine binding site 9 out of 9 in the 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of 100K X-Ray Diffraction Study of A 6-Fold Molar Excess of A Cisplatin/Carboplatin Mixture Binding to Hewl within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl212

b:28.5
occ:1.00
 PT1 A:CPT209 2.4 43.5 0.5
N2 A:CPT209 3.0 37.3 1.0
N A:ILE88 3.3 13.3 1.0
O A:HOH350 3.5 25.9 1.0
CG1 A:ILE88 3.6 11.9 1.0
NE2 A:HIS15 3.7 22.0 1.0
CA A:ASP87 3.8 15.5 1.0
OD1 A:ASP87 3.9 18.0 1.0
C A:ASP87 4.0 13.0 1.0
O A:SER86 4.0 16.6 1.0
CD2 A:HIS15 4.3 19.7 1.0
CB A:ILE88 4.3 11.5 1.0
CA A:ILE88 4.3 11.7 1.0
CB A:ALA11 4.3 12.5 1.0
CZ A:PHE3 4.4 11.6 1.0
CG2 A:ILE88 4.4 11.4 1.0
CG A:ASP87 4.5 20.2 1.0
CD1 A:ILE88 4.5 12.6 1.0
CB A:ASP87 4.7 17.1 1.0
N A:ASP87 4.8 14.1 1.0
CE1 A:HIS15 4.8 23.5 1.0
C A:SER86 4.8 15.2 1.0
N A:THR89 5.0 12.0 1.0
CE2 A:PHE3 5.0 12.0 1.0

Reference:

J.R.Helliwell, S.W.Tanley. The Crystal Structure Analysis of the Relative Binding of Cisplatin and Carboplatin in A Mixture with Histidine in A Protein Studied at 100 and 300 K with Repeated X-Ray Irradiation. Acta Crystallogr.,Sect.D V. 69 121 2013.
ISSN: ISSN 0907-4449
PubMed: 23275170
DOI: 10.1107/S090744491204423X
Page generated: Sun Jul 21 14:28:23 2024

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