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Chlorine in PDB 4yen: Room Temperature X-Ray Diffraction Studies of Cisplatin Binding to Hewl in Dmso Media After 14 Months of Crystal Storage - New Refinement

Enzymatic activity of Room Temperature X-Ray Diffraction Studies of Cisplatin Binding to Hewl in Dmso Media After 14 Months of Crystal Storage - New Refinement

All present enzymatic activity of Room Temperature X-Ray Diffraction Studies of Cisplatin Binding to Hewl in Dmso Media After 14 Months of Crystal Storage - New Refinement:
3.2.1.17;

Protein crystallography data

The structure of Room Temperature X-Ray Diffraction Studies of Cisplatin Binding to Hewl in Dmso Media After 14 Months of Crystal Storage - New Refinement, PDB code: 4yen was solved by I.G.Shabalin, Z.Dauter, M.Jaskolski, W.Minor, A.Wlodawer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.00 / 2.00
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.113, 79.113, 37.985, 90.00, 90.00, 90.00
R / Rfree (%) 14.6 / 17.9

Other elements in 4yen:

The structure of Room Temperature X-Ray Diffraction Studies of Cisplatin Binding to Hewl in Dmso Media After 14 Months of Crystal Storage - New Refinement also contains other interesting chemical elements:

Platinum (Pt) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Room Temperature X-Ray Diffraction Studies of Cisplatin Binding to Hewl in Dmso Media After 14 Months of Crystal Storage - New Refinement (pdb code 4yen). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Room Temperature X-Ray Diffraction Studies of Cisplatin Binding to Hewl in Dmso Media After 14 Months of Crystal Storage - New Refinement, PDB code: 4yen:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 4yen

Go back to Chlorine Binding Sites List in 4yen
Chlorine binding site 1 out of 5 in the Room Temperature X-Ray Diffraction Studies of Cisplatin Binding to Hewl in Dmso Media After 14 Months of Crystal Storage - New Refinement


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Room Temperature X-Ray Diffraction Studies of Cisplatin Binding to Hewl in Dmso Media After 14 Months of Crystal Storage - New Refinement within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:35.7
occ:0.80
PT A:PT201 2.3 40.6 0.8
ND1 A:HIS15 3.1 31.8 1.0
CL A:CL203 3.3 51.8 0.8
CB A:HIS15 3.6 27.6 1.0
CG1 A:VAL92 3.7 25.7 1.0
CG A:HIS15 3.7 29.2 1.0
OD1 A:ASN93 3.8 40.4 1.0
O A:THR89 3.9 23.2 1.0
CB A:VAL92 4.0 24.5 1.0
CG2 A:THR89 4.0 28.3 1.0
O A:HIS15 4.0 28.1 1.0
CG A:ASN93 4.1 36.2 1.0
CE1 A:HIS15 4.1 32.4 1.0
ND2 A:ASN93 4.1 39.8 1.0
CA A:THR89 4.2 25.2 1.0
CA A:HIS15 4.3 28.2 1.0
NZ A:LYS96 4.4 30.4 1.0
N A:ASN93 4.5 24.9 1.0
C A:THR89 4.5 24.0 1.0
CL A:CL204 4.5 44.8 0.8
CB A:THR89 4.5 27.4 1.0
C A:HIS15 4.6 27.9 1.0
OG1 A:THR89 4.7 28.8 1.0
CD2 A:HIS15 4.8 30.0 1.0
CG2 A:VAL92 4.9 24.6 1.0
C A:VAL92 4.9 23.9 1.0
NE2 A:HIS15 5.0 31.4 1.0

Chlorine binding site 2 out of 5 in 4yen

Go back to Chlorine Binding Sites List in 4yen
Chlorine binding site 2 out of 5 in the Room Temperature X-Ray Diffraction Studies of Cisplatin Binding to Hewl in Dmso Media After 14 Months of Crystal Storage - New Refinement


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Room Temperature X-Ray Diffraction Studies of Cisplatin Binding to Hewl in Dmso Media After 14 Months of Crystal Storage - New Refinement within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:51.8
occ:0.80
PT A:PT201 2.5 40.6 0.8
CL A:CL202 3.3 35.7 0.8
CL A:CL204 3.5 44.8 0.8
OD1 A:ASN93 4.6 40.4 1.0
ND1 A:HIS15 4.8 31.8 1.0
NZ A:LYS96 4.8 30.4 1.0
O A:HIS15 4.9 28.1 1.0

Chlorine binding site 3 out of 5 in 4yen

Go back to Chlorine Binding Sites List in 4yen
Chlorine binding site 3 out of 5 in the Room Temperature X-Ray Diffraction Studies of Cisplatin Binding to Hewl in Dmso Media After 14 Months of Crystal Storage - New Refinement


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Room Temperature X-Ray Diffraction Studies of Cisplatin Binding to Hewl in Dmso Media After 14 Months of Crystal Storage - New Refinement within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl204

b:44.8
occ:0.80
PT A:PT201 2.2 40.6 0.8
ND1 A:HIS15 3.3 31.8 1.0
CL A:CL203 3.5 51.8 0.8
O A:ARG14 3.8 29.4 1.0
CE1 A:HIS15 3.8 32.4 1.0
CA A:HIS15 4.0 28.2 1.0
CG A:HIS15 4.1 29.2 1.0
NH2 A:ARG14 4.1 42.2 1.0
C A:ARG14 4.4 29.4 1.0
CB A:HIS15 4.5 27.6 1.0
CL A:CL202 4.5 35.7 0.8
O A:HOH306 4.5 47.9 1.0
CG A:ARG14 4.6 35.1 1.0
N A:HIS15 4.6 27.6 1.0
O A:HOH370 4.6 51.1 1.0
NE2 A:HIS15 4.7 31.4 1.0
CZ A:ARG14 4.8 40.3 1.0
CD2 A:HIS15 4.9 30.0 1.0
C A:HIS15 4.9 27.9 1.0

Chlorine binding site 4 out of 5 in 4yen

Go back to Chlorine Binding Sites List in 4yen
Chlorine binding site 4 out of 5 in the Room Temperature X-Ray Diffraction Studies of Cisplatin Binding to Hewl in Dmso Media After 14 Months of Crystal Storage - New Refinement


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Room Temperature X-Ray Diffraction Studies of Cisplatin Binding to Hewl in Dmso Media After 14 Months of Crystal Storage - New Refinement within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl205

b:29.0
occ:0.40
PT A:PT200 2.2 38.0 0.4
CL A:CL206 3.0 37.7 0.4
N A:ILE88 3.3 27.9 1.0
NE2 A:HIS15 3.4 31.4 1.0
CG1 A:ILE88 3.5 27.1 1.0
OD1 A:ASP87 3.9 36.8 1.0
CA A:ASP87 4.0 31.8 1.0
O A:HOH374 4.1 41.3 1.0
CD2 A:HIS15 4.2 30.0 1.0
C A:ASP87 4.2 29.1 1.0
CG A:ASP87 4.2 36.8 1.0
CA A:ILE88 4.3 26.1 1.0
CB A:ILE88 4.3 26.1 1.0
NH1 A:ARG14 4.4 41.3 1.0
CE1 A:HIS15 4.4 32.4 1.0
O A:SER86 4.4 32.1 1.0
CB A:ALA11 4.4 24.7 1.0
CD1 A:ILE88 4.5 27.2 1.0
CG2 A:ILE88 4.5 26.9 1.0
OD2 A:ASP87 4.6 41.1 1.0
N A:THR89 4.7 25.0 1.0
CB A:ASP87 4.8 34.2 1.0
C A:ILE88 4.9 25.1 1.0
CZ A:PHE3 5.0 25.5 1.0
OG1 A:THR89 5.0 28.8 1.0

Chlorine binding site 5 out of 5 in 4yen

Go back to Chlorine Binding Sites List in 4yen
Chlorine binding site 5 out of 5 in the Room Temperature X-Ray Diffraction Studies of Cisplatin Binding to Hewl in Dmso Media After 14 Months of Crystal Storage - New Refinement


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Room Temperature X-Ray Diffraction Studies of Cisplatin Binding to Hewl in Dmso Media After 14 Months of Crystal Storage - New Refinement within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl206

b:37.7
occ:0.40
PT A:PT200 2.3 38.0 0.4
NH1 A:ARG14 2.9 41.3 1.0
CL A:CL205 3.0 29.0 0.4
CZ A:ARG14 4.0 40.3 1.0
NE A:ARG14 4.2 37.7 1.0
O A:HOH374 4.4 41.3 1.0
NE2 A:HIS15 4.7 31.4 1.0
OD2 A:ASP87 4.8 41.1 1.0

Reference:

I.G.Shabalin, Z.Dauter, M.Jaskolski, W.Minor, A.Wlodawer. Crystallography and Chemistry Should Always Go Together: A Cautionary Tale of Protein Complexes with Cisplatin and Carboplatin To Be Published.
Page generated: Wed Oct 28 12:19:17 2020

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