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Chlorine in PDB 4ddc: Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil

Enzymatic activity of Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil

All present enzymatic activity of Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil:
3.2.1.17;

Protein crystallography data

The structure of Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil, PDB code: 4ddc was solved by S.W.Tanley, A.M.Schreurs, L.M.Kroon-Batenburg, J.Meredith, R.Prendergast, D.Walsh, P.Bryant, C.Levy, J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.17 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 77.949, 79.089, 36.984, 90.00, 90.00, 90.00
R / Rfree (%) 21.9 / 25.3

Other elements in 4ddc:

The structure of Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil also contains other interesting chemical elements:

Platinum (Pt) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil (pdb code 4ddc). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil, PDB code: 4ddc:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4ddc

Go back to Chlorine Binding Sites List in 4ddc
Chlorine binding site 1 out of 5 in the Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:52.6
occ:1.00
CL2 A:CPT201 0.0 52.6 1.0
PT1 A:CPT201 2.4 64.9 1.0
NH1 A:ARG14 3.1 44.2 1.0
CL1 A:CPT201 3.2 42.5 1.0
OD2 A:ASP87 3.7 35.1 1.0
CG A:ASP87 4.3 28.2 1.0
NE2 A:HIS15 4.3 31.2 1.0
CZ A:ARG14 4.4 43.9 1.0
OD1 A:ASP87 4.7 26.6 1.0
CE1 A:HIS15 4.8 29.6 1.0
CB A:ASP87 5.0 25.8 1.0

Chlorine binding site 2 out of 5 in 4ddc

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Chlorine binding site 2 out of 5 in the Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:42.5
occ:1.00
CL1 A:CPT201 0.0 42.5 1.0
PT1 A:CPT201 2.5 64.9 1.0
N A:ILE88 3.1 20.4 1.0
CL2 A:CPT201 3.2 52.6 1.0
CG1 A:ILE88 3.5 20.8 1.0
NE2 A:HIS15 3.6 31.2 1.0
CA A:ASP87 3.8 23.2 1.0
C A:ASP87 3.9 19.1 1.0
CB A:ILE88 4.0 18.9 1.0
CA A:ILE88 4.1 20.6 1.0
CG2 A:ILE88 4.1 20.0 1.0
OD1 A:ASP87 4.1 26.6 1.0
CE1 A:HIS15 4.2 29.6 1.0
O A:SER86 4.2 18.8 1.0
CG A:ASP87 4.2 28.2 1.0
CD1 A:ILE88 4.3 22.1 1.0
CB A:ALA11 4.4 19.7 1.0
CD2 A:HIS15 4.4 29.2 1.0
CZ A:PHE3 4.6 18.9 1.0
CB A:ASP87 4.6 25.8 1.0
OD2 A:ASP87 4.6 35.1 1.0
N A:THR89 4.8 18.0 1.0
C A:ILE88 4.8 19.2 1.0
N A:ASP87 4.9 21.8 1.0
C A:SER86 5.0 23.3 1.0

Chlorine binding site 3 out of 5 in 4ddc

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Chlorine binding site 3 out of 5 in the Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:64.9
occ:1.00
CL2 A:CPT202 0.0 64.9 1.0
PT1 A:CPT202 2.5 0.5 1.0
ND1 A:HIS15 3.0 30.6 1.0
OD1 A:ASN93 3.2 28.4 1.0
CB A:HIS15 3.5 29.1 1.0
CG A:HIS15 3.6 29.0 1.0
CG2 A:THR89 3.8 20.0 1.0
O A:THR89 3.8 13.5 1.0
O A:HIS15 3.9 23.1 1.0
CG A:ASN93 3.9 23.4 1.0
CA A:THR89 3.9 18.4 1.0
CG1 A:VAL92 3.9 15.5 1.0
CB A:VAL92 4.0 14.1 1.0
CE1 A:HIS15 4.1 29.6 1.0
ND2 A:ASN93 4.1 24.2 1.0
CA A:HIS15 4.2 28.4 1.0
CB A:THR89 4.3 19.8 1.0
C A:THR89 4.3 15.3 1.0
OG1 A:THR89 4.5 20.6 1.0
C A:HIS15 4.5 25.7 1.0
N A:ASN93 4.6 17.2 1.0
CG2 A:VAL92 4.8 15.1 1.0
NZ A:LYS96 4.9 17.9 1.0
CD2 A:HIS15 4.9 29.2 1.0

Chlorine binding site 4 out of 5 in 4ddc

Go back to Chlorine Binding Sites List in 4ddc
Chlorine binding site 4 out of 5 in the Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl201

b:47.9
occ:1.00
CL2 B:CPT201 0.0 47.9 1.0
PT1 B:CPT201 2.5 73.5 1.0
OD1 B:ASN93 3.1 26.0 1.0
ND1 B:HIS15 3.3 29.2 1.0
CG2 B:THR89 3.4 21.5 1.0
CB B:HIS15 3.6 24.0 1.0
O B:THR89 3.8 13.6 1.0
CG B:HIS15 3.9 24.7 1.0
O B:HIS15 3.9 20.0 1.0
CG B:ASN93 3.9 22.2 1.0
CA B:THR89 4.0 15.9 1.0
CG1 B:VAL92 4.0 14.0 1.0
CB B:VAL92 4.1 14.0 1.0
CB B:THR89 4.2 20.3 1.0
CA B:HIS15 4.3 20.6 1.0
ND2 B:ASN93 4.3 25.8 1.0
C B:THR89 4.3 15.3 1.0
CE1 B:HIS15 4.4 26.9 1.0
N B:ASN93 4.5 15.6 1.0
OG1 B:THR89 4.5 22.9 1.0
C B:HIS15 4.5 18.4 1.0
NZ B:LYS96 4.9 17.2 1.0
CG2 B:VAL92 4.9 14.9 1.0
CB B:ASN93 5.0 18.8 1.0

Chlorine binding site 5 out of 5 in 4ddc

Go back to Chlorine Binding Sites List in 4ddc
Chlorine binding site 5 out of 5 in the Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Eval Processed Hewl, Cisplatin Dmso Nag Silicone Oil within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl202

b:40.4
occ:1.00
CL2 B:CPT202 0.0 40.4 1.0
PT1 B:CPT202 2.4 58.6 1.0
N B:ILE88 3.1 20.1 1.0
CG1 B:ILE88 3.6 18.6 1.0
NE2 B:HIS15 3.7 26.4 1.0
CA B:ASP87 3.8 23.2 1.0
C B:ASP87 3.9 21.1 1.0
CG2 B:ILE88 4.0 16.3 1.0
CB B:ALA11 4.0 18.0 1.0
CB B:ILE88 4.1 17.0 1.0
CA B:ILE88 4.1 17.2 1.0
O B:SER86 4.2 22.4 1.0
OD1 B:ASP87 4.2 23.6 1.0
CE1 B:HIS15 4.2 26.9 1.0
CG B:ASP87 4.3 27.2 1.0
CZ B:PHE3 4.4 17.3 1.0
CD1 B:ILE88 4.4 18.5 1.0
CD2 B:HIS15 4.5 27.1 1.0
CB B:ASP87 4.6 24.4 1.0
OD2 B:ASP87 4.7 26.2 1.0
N B:ASP87 4.9 20.8 1.0
CE2 B:PHE3 4.9 17.5 1.0
N B:THR89 4.9 17.1 1.0
C B:ILE88 4.9 16.9 1.0
C B:SER86 5.0 21.9 1.0

Reference:

S.W.Tanley, A.M.Schreurs, L.M.Kroon-Batenburg, J.Meredith, R.Prendergast, D.Walsh, P.Bryant, C.Levy, J.R.Helliwell. Structural Studies of the Effect That Dimethyl Sulfoxide (Dmso) Has on Cisplatin and Carboplatin Binding to Histidine in A Protein. Acta Crystallogr.,Sect.D V. 68 601 2012.
ISSN: ISSN 0907-4449
PubMed: 22525758
DOI: 10.1107/S0907444912006907
Page generated: Sat Dec 12 10:31:46 2020

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