Atomistry » Chlorine » PDB 4g81-4gen » 4gcb
Atomistry »
  Chlorine »
    PDB 4g81-4gen »
      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: Sun Jul 21 14:28:23 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy