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Zinc in PDB 8c8s: Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 21).

Enzymatic activity of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 21).

All present enzymatic activity of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 21).:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 21)., PDB code: 8c8s was solved by Y.Yosaatmadja, J.A.Newman, H.T.Baddock, M.Bielinski, F.Von Delft, C.Bountra, P.J.Mchugh, C.J.Schofield, O.Gileadi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.37 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.684, 57.321, 113.73, 90, 90, 90
R / Rfree (%) 21.2 / 24.6

Other elements in 8c8s:

The structure of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 21). also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 21). (pdb code 8c8s). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 21)., PDB code: 8c8s:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 8c8s

Go back to Zinc Binding Sites List in 8c8s
Zinc binding site 1 out of 2 in the Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 21).


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 21). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1102

b:24.8
occ:1.00
 O1 A:U2O1101 2.0 26.1 1.0
NE2 A:HIS793 2.2 24.8 1.0
ND1 A:HIS734 2.2 20.3 1.0
NE2 A:HIS732 2.3 23.9 1.0
OD2 A:ASP815 2.3 19.9 1.0
O2 A:U2O1101 2.4 24.3 1.0
N4 A:U2O1101 2.8 30.0 1.0
C15 A:U2O1101 2.9 33.5 1.0
CD2 A:HIS732 3.1 22.0 1.0
CD2 A:HIS793 3.1 16.0 1.0
CE1 A:HIS734 3.1 26.0 1.0
CE1 A:HIS793 3.2 20.4 1.0
CG A:HIS734 3.3 27.1 1.0
ZN A:ZN1103 3.3 27.9 1.0
CE1 A:HIS732 3.3 24.3 1.0
CG A:ASP815 3.4 23.2 1.0
CB A:HIS734 3.7 23.8 1.0
CB A:ASP815 3.7 18.1 1.0
O A:HOH1235 3.8 29.4 1.0
NE2 A:HIS737 4.1 27.7 1.0
CG A:HIS732 4.2 18.6 1.0
CG A:HIS793 4.3 19.3 1.0
NE2 A:HIS734 4.3 24.6 1.0
ND1 A:HIS793 4.3 21.2 1.0
CD2 A:HIS737 4.3 26.4 1.0
C2 A:U2O1101 4.3 37.9 1.0
ND1 A:HIS732 4.3 21.5 1.0
CD2 A:HIS734 4.4 26.5 1.0
OD1 A:ASP815 4.5 20.2 1.0
NE2 A:HIS994 4.6 23.0 1.0
CE1 A:HIS994 4.7 21.8 1.0
C1 A:U2O1101 4.7 37.1 1.0
O A:HOH1239 4.8 29.8 1.0
OD2 A:ASP736 4.9 37.6 1.0
CE1 A:HIS737 5.0 24.9 1.0

Zinc binding site 2 out of 2 in 8c8s

Go back to Zinc Binding Sites List in 8c8s
Zinc binding site 2 out of 2 in the Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 21).


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 21). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1103

b:27.9
occ:1.00
 O1 A:U2O1101 2.0 26.1 1.0
O A:HOH1235 2.2 29.4 1.0
OD2 A:ASP815 2.2 19.9 1.0
O A:HOH1205 2.2 23.5 1.0
NE2 A:HIS737 2.2 27.7 1.0
OD2 A:ASP736 2.5 37.6 1.0
N4 A:U2O1101 3.0 30.0 1.0
CG A:ASP815 3.0 23.2 1.0
CD2 A:HIS737 3.1 26.4 1.0
OD1 A:ASP815 3.2 20.2 1.0
CE1 A:HIS737 3.3 24.9 1.0
ZN A:ZN1102 3.3 24.8 1.0
CG A:ASP736 3.6 43.7 1.0
C15 A:U2O1101 3.8 33.5 1.0
O2 A:U2O1101 3.8 24.3 1.0
O A:HOH1255 4.0 26.5 1.0
OD1 A:ASP736 4.0 37.5 1.0
NE2 A:HIS732 4.2 23.9 1.0
CG A:HIS737 4.3 28.8 1.0
ND1 A:HIS737 4.3 25.4 1.0
CE1 A:HIS994 4.4 21.8 1.0
CB A:ASP815 4.4 18.1 1.0
CE1 A:HIS732 4.4 24.3 1.0
NE2 A:HIS994 4.7 23.0 1.0
CB A:ASP736 4.8 29.3 1.0
N3 A:U2O1101 4.8 40.0 1.0

Reference:

Y.Yosaatmadja, J.A.Newman, H.T.Baddock, M.Bielinski, F.Von Delft, C.Bountra, P.J.Mchugh, C.J.Schofield, O.Gileadi. Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 21). To Be Published.
Page generated: Wed Oct 30 18:37:22 2024

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