Atomistry » Chlorine » PDB 4g6z-4ge8 » 4gcb
Atomistry »
  Chlorine »
    PDB 4g6z-4ge8 »
      4gcb »

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

Go back to Chlorine Binding Sites List in 4gcb
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

Go back to Chlorine Binding Sites List in 4gcb
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

Go back to Chlorine Binding Sites List in 4gcb
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

Go back to Chlorine Binding Sites List in 4gcb
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

Go back to Chlorine Binding Sites List in 4gcb
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

Go back to Chlorine Binding Sites List in 4gcb
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

Go back to Chlorine Binding Sites List in 4gcb
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

Go back to Chlorine Binding Sites List in 4gcb
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

Go back to Chlorine Binding Sites List in 4gcb
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: Wed Oct 28 11:44:45 2020

Last articles

Xe in 6AYK
Xe in 6QII
Xe in 6ASM
Xe in 5NSW
Xe in 6FY9
Xe in 5O1K
Xe in 5O27
Xe in 5M69
Xe in 5KPU
Xe in 5I63
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy