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Chlorine in PDB 5hll: Re-Refinement of 4G4A: Room-Temperature X-Ray Diffraction Study of Cisplatin and Its Binding to HIS15 of Hewl After 14 Months Chemical Exposure in the Presence of Dmso.

Enzymatic activity of Re-Refinement of 4G4A: Room-Temperature X-Ray Diffraction Study of Cisplatin and Its Binding to HIS15 of Hewl After 14 Months Chemical Exposure in the Presence of Dmso.

All present enzymatic activity of Re-Refinement of 4G4A: Room-Temperature X-Ray Diffraction Study of Cisplatin and Its Binding to HIS15 of Hewl After 14 Months Chemical Exposure in the Presence of Dmso.:
3.2.1.17;

Protein crystallography data

The structure of Re-Refinement of 4G4A: Room-Temperature X-Ray Diffraction Study of Cisplatin and Its Binding to HIS15 of Hewl After 14 Months Chemical Exposure in the Presence of Dmso., PDB code: 5hll was solved by J.R.Helliwell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.39 / 1.70
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.144, 79.144, 37.997, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 22.4

Other elements in 5hll:

The structure of Re-Refinement of 4G4A: Room-Temperature X-Ray Diffraction Study of Cisplatin and Its Binding to HIS15 of Hewl After 14 Months Chemical Exposure in the Presence of Dmso. also contains other interesting chemical elements:

Platinum (Pt) 2 atoms
Sodium (Na) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Re-Refinement of 4G4A: Room-Temperature X-Ray Diffraction Study of Cisplatin and Its Binding to HIS15 of Hewl After 14 Months Chemical Exposure in the Presence of Dmso. (pdb code 5hll). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Re-Refinement of 4G4A: Room-Temperature X-Ray Diffraction Study of Cisplatin and Its Binding to HIS15 of Hewl After 14 Months Chemical Exposure in the Presence of Dmso., PDB code: 5hll:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5hll

Go back to Chlorine Binding Sites List in 5hll
Chlorine binding site 1 out of 4 in the Re-Refinement of 4G4A: Room-Temperature X-Ray Diffraction Study of Cisplatin and Its Binding to HIS15 of Hewl After 14 Months Chemical Exposure in the Presence of Dmso.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Re-Refinement of 4G4A: Room-Temperature X-Ray Diffraction Study of Cisplatin and Its Binding to HIS15 of Hewl After 14 Months Chemical Exposure in the Presence of Dmso. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl202

b:34.7
occ:1.00
 HH A:TYR23 2.2 19.7 1.0
OH A:TYR23 2.8 16.4 1.0
HE2 A:TYR23 3.0 18.7 1.0
HA3 A:GLY104 3.4 22.9 1.0
CE2 A:TYR23 3.5 15.6 1.0
CZ A:TYR23 3.5 15.3 1.0
O A:HOH326 3.5 24.6 1.0
O A:HOH305 3.7 33.1 1.0
HD2 A:ARG21 4.1 44.0 0.5
HA2 A:GLY104 4.2 22.9 1.0
CA A:GLY104 4.2 19.1 1.0
HD3 A:ARG21 4.5 44.0 0.5
O A:ARG21 4.6 18.7 1.0
H A:MET105 4.7 17.1 1.0
CE1 A:TYR23 4.8 16.4 1.0
CD2 A:TYR23 4.8 14.4 1.0
N A:GLY104 4.8 16.2 1.0
CD A:ARG21 4.8 36.7 0.5
HB3 A:ARG21 4.9 23.8 0.5
HB3 A:ARG21 4.9 23.8 0.5

Chlorine binding site 2 out of 4 in 5hll

Go back to Chlorine Binding Sites List in 5hll
Chlorine binding site 2 out of 4 in the Re-Refinement of 4G4A: Room-Temperature X-Ray Diffraction Study of Cisplatin and Its Binding to HIS15 of Hewl After 14 Months Chemical Exposure in the Presence of Dmso.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Re-Refinement of 4G4A: Room-Temperature X-Ray Diffraction Study of Cisplatin and Its Binding to HIS15 of Hewl After 14 Months Chemical Exposure in the Presence of Dmso. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl203

b:25.8
occ:0.54
 H A:GLU7 2.3 19.1 1.0
HA3 A:GLY4 2.8 30.2 1.0
H A:CYS6 2.8 25.7 1.0
HB2 A:GLU7 3.0 27.2 1.0
HB2 A:CYS6 3.0 24.8 1.0
N A:GLU7 3.1 15.9 1.0
N A:CYS6 3.4 21.4 1.0
CA A:GLY4 3.6 25.2 1.0
CB A:GLU7 3.6 22.6 1.0
C A:GLY4 3.6 20.7 1.0
HB3 A:GLU7 3.7 27.2 1.0
N A:ARG5 3.8 18.9 1.0
CB A:CYS6 3.9 20.7 1.0
H A:ARG5 3.9 22.6 1.0
CA A:CYS6 3.9 15.8 1.0
CA A:GLU7 3.9 14.6 1.0
C A:CYS6 3.9 13.8 1.0
O A:GLY4 4.1 16.9 1.0
HA2 A:GLY4 4.2 30.2 1.0
HA A:GLU7 4.3 17.5 1.0
H A:GLY4 4.3 30.4 1.0
C A:ARG5 4.3 19.0 1.0
HB3 A:CYS6 4.5 24.8 1.0
N A:GLY4 4.5 25.3 1.0
CA A:ARG5 4.6 20.6 1.0
HB3 A:ARG5 4.7 29.4 1.0
HA A:CYS6 4.8 19.0 1.0
H A:LEU8 4.9 18.2 1.0
SG A:CYS6 4.9 21.4 1.0
CG A:GLU7 5.0 22.7 1.0

Chlorine binding site 3 out of 4 in 5hll

Go back to Chlorine Binding Sites List in 5hll
Chlorine binding site 3 out of 4 in the Re-Refinement of 4G4A: Room-Temperature X-Ray Diffraction Study of Cisplatin and Its Binding to HIS15 of Hewl After 14 Months Chemical Exposure in the Presence of Dmso.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Re-Refinement of 4G4A: Room-Temperature X-Ray Diffraction Study of Cisplatin and Its Binding to HIS15 of Hewl After 14 Months Chemical Exposure in the Presence of Dmso. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl207

b:27.3
occ:0.81
 PT A:PT205 2.3 32.9 0.8
HB3 A:HIS15 2.7 28.3 1.0
HN1 A:NH3210 2.9 32.0 0.8
HG23 A:THR89 2.9 27.3 1.0
N A:NH3210 3.0 26.7 0.8
ND1 A:HIS15 3.1 27.2 1.0
HN2 A:NH3210 3.1 32.0 0.8
HG11 A:VAL92 3.2 28.5 1.0
HB A:VAL92 3.3 25.1 1.0
HG12 A:VAL92 3.3 28.5 1.0
HA A:THR89 3.4 19.9 1.0
CB A:HIS15 3.5 23.6 1.0
CG1 A:VAL92 3.6 23.8 1.0
CG A:HIS15 3.6 21.4 1.0
OD1 A:ASN93 3.7 48.2 1.0
HD21 A:ASN93 3.7 55.6 1.0
HZ2 A:LYS96 3.7 39.8 1.0
HN3 A:NH3210 3.8 32.0 0.8
CG2 A:THR89 3.9 22.8 1.0
CG A:ASN93 3.9 43.6 1.0
O A:THR89 3.9 19.7 1.0
CB A:VAL92 3.9 20.9 1.0
ND2 A:ASN93 3.9 46.4 1.0
O A:HIS15 4.0 27.8 1.0
HA A:HIS15 4.0 26.1 1.0
HG22 A:THR89 4.1 27.3 1.0
CE1 A:HIS15 4.1 33.6 1.0
H A:ASN93 4.2 15.4 1.0
CA A:THR89 4.2 16.6 1.0
HB2 A:HIS15 4.3 28.3 1.0
CA A:HIS15 4.3 21.7 1.0
HE1 A:HIS15 4.4 40.3 1.0
N A:ASN93 4.5 12.8 1.0
HD22 A:ASN93 4.5 55.6 1.0
HG21 A:THR89 4.5 27.3 1.0
N A:NH3209 4.5 16.2 0.8
CB A:THR89 4.5 28.7 1.0
HG13 A:VAL92 4.5 28.5 1.0
C A:THR89 4.5 19.3 1.0
NZ A:LYS96 4.5 33.2 1.0
HG21 A:VAL92 4.6 23.6 1.0
HZ1 A:LYS96 4.6 39.8 1.0
C A:HIS15 4.6 17.4 1.0
HN1 A:NH3209 4.6 19.5 0.8
HA A:ASN93 4.7 22.8 1.0
CD2 A:HIS15 4.7 25.2 1.0
OG1 A:THR89 4.7 24.6 1.0
CG2 A:VAL92 4.9 19.7 1.0
C A:VAL92 4.9 15.7 1.0
HN2 A:NH3209 4.9 19.5 0.8
CB A:ASN93 4.9 20.4 1.0
NE2 A:HIS15 4.9 20.6 1.0
CA A:ASN93 5.0 19.0 1.0

Chlorine binding site 4 out of 4 in 5hll

Go back to Chlorine Binding Sites List in 5hll
Chlorine binding site 4 out of 4 in the Re-Refinement of 4G4A: Room-Temperature X-Ray Diffraction Study of Cisplatin and Its Binding to HIS15 of Hewl After 14 Months Chemical Exposure in the Presence of Dmso.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Re-Refinement of 4G4A: Room-Temperature X-Ray Diffraction Study of Cisplatin and Its Binding to HIS15 of Hewl After 14 Months Chemical Exposure in the Presence of Dmso. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl208

b:23.1
occ:0.41
 HN2 A:NH3211 2.1 19.8 0.4
PT A:PT206 2.3 32.3 0.4
HN3 A:NH3211 2.3 19.8 0.4
N A:NH3211 2.5 16.5 0.4
HG12 A:ILE88 2.6 21.5 1.0
H A:ILE88 2.6 25.9 1.0
HN1 A:NH3211 3.3 19.8 0.4
HA A:ASP87 3.3 27.2 1.0
HB1 A:ALA11 3.4 22.5 1.0
N A:ILE88 3.5 21.6 1.0
CG1 A:ILE88 3.5 17.9 1.0
NE2 A:HIS15 3.6 20.6 1.0
HH21 A:ARG14 3.7 58.1 1.0
HG13 A:ILE88 3.8 21.5 1.0
HG23 A:ILE88 3.9 25.4 1.0
HZ A:PHE3 3.9 28.5 1.0
HD2 A:HIS15 4.0 30.2 1.0
CD2 A:HIS15 4.2 25.2 1.0
CA A:ASP87 4.2 22.6 1.0
OD1 A:ASP87 4.2 27.9 1.0
HD11 A:ILE88 4.2 26.5 1.0
CB A:ALA11 4.3 18.8 1.0
HB2 A:ALA11 4.3 22.5 1.0
C A:ASP87 4.3 25.5 1.0
CD1 A:ILE88 4.3 22.1 1.0
CB A:ILE88 4.4 18.6 1.0
O A:SER86 4.4 30.5 1.0
HD13 A:ILE88 4.4 26.5 1.0
CA A:ILE88 4.4 16.8 1.0
H A:THR89 4.4 21.3 1.0
NH2 A:ARG14 4.5 48.4 1.0
CG2 A:ILE88 4.6 21.1 1.0
HG1 A:THR89 4.6 29.5 1.0
CG A:ASP87 4.6 38.2 1.0
CE1 A:HIS15 4.7 33.6 1.0
CZ A:PHE3 4.7 23.8 1.0
HH22 A:ARG14 4.8 58.1 1.0
HB3 A:ALA11 4.8 22.5 1.0
HE2 A:PHE3 4.8 31.4 1.0
HE A:ARG14 4.9 38.6 1.0
HG21 A:ILE88 4.9 25.4 1.0
N A:THR89 4.9 17.8 1.0
HE1 A:HIS15 4.9 40.3 1.0
CB A:ASP87 5.0 23.2 1.0

Reference:

S.W.Tanley, A.M.Schreurs, L.M.Kroon-Batenburg, J.R.Helliwell. Re-Refinement of 4G4A: Room-Temperature X-Ray Diffraction Study of Cisplatin and Its Binding to HIS15 of Hewl After 14 Months Chemical Exposure in the Presence of Dmso. Acta Crystallogr F Struct V. 72 253 2016BIOL Commun.
ISSN: ESSN 2053-230X
PubMed: 26948967
DOI: 10.1107/S2053230X16000856
Page generated: Sat Dec 12 11:48:48 2020

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