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Zinc in PDB 8c8d: Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 44).

Enzymatic activity of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 44).

All present enzymatic activity of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 44).:
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 44)., PDB code: 8c8d 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) 38.25 / 1.46
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.58, 57.01, 113.42, 90, 90, 90
R / Rfree (%) 21.1 / 23.3

Other elements in 8c8d:

The structure of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 44). also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

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 44). (pdb code 8c8d). 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 44)., PDB code: 8c8d:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 8c8d

Go back to Zinc Binding Sites List in 8c8d
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 44).


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 44). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1103

b:23.7
occ:1.00
 O2 A:U2C1101 2.0 25.9 1.0
ND1 A:HIS734 2.1 22.4 1.0
NE2 A:HIS793 2.1 20.6 1.0
NE2 A:HIS732 2.1 21.5 1.0
O3 A:U2C1101 2.3 27.1 1.0
OD2 A:ASP815 2.4 23.7 1.0
N4 A:U2C1101 2.8 27.6 1.0
C17 A:U2C1101 2.8 32.9 1.0
CE1 A:HIS734 3.0 21.9 1.0
CD2 A:HIS732 3.0 20.7 1.0
CD2 A:HIS793 3.1 19.5 1.0
CE1 A:HIS793 3.1 19.2 1.0
CG A:HIS734 3.2 24.1 1.0
CE1 A:HIS732 3.2 22.4 1.0
ZN A:ZN1104 3.3 26.7 1.0
CG A:ASP815 3.4 25.0 1.0
CB A:HIS734 3.6 24.5 1.0
CB A:ASP815 3.7 20.6 1.0
O A:HOH1280 3.9 31.0 1.0
NE2 A:HIS737 4.0 23.8 1.0
NE2 A:HIS734 4.1 23.1 1.0
CG A:HIS732 4.2 20.1 1.0
ND1 A:HIS793 4.2 20.2 1.0
ND1 A:HIS732 4.2 20.5 1.0
CD2 A:HIS737 4.2 24.2 1.0
CG A:HIS793 4.2 19.0 1.0
C2 A:U2C1101 4.3 38.1 1.0
CD2 A:HIS734 4.3 25.0 1.0
OD1 A:ASP815 4.5 25.0 1.0
C1 A:U2C1101 4.6 31.8 1.0
NE2 A:HIS994 4.7 24.6 1.0
CE1 A:HIS994 4.7 24.2 1.0
O A:HOH1275 4.7 29.4 1.0
OD1 A:ASP736 4.9 38.8 1.0
CE1 A:HIS737 4.9 24.9 1.0
OD2 A:ASP736 5.0 36.7 1.0

Zinc binding site 2 out of 2 in 8c8d

Go back to Zinc Binding Sites List in 8c8d
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 44).


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 44). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1104

b:26.7
occ:1.00
 O2 A:U2C1101 2.0 25.9 1.0
O A:HOH1205 2.1 27.6 1.0
NE2 A:HIS737 2.1 23.8 1.0
OD2 A:ASP815 2.1 23.7 1.0
O A:HOH1280 2.2 31.0 1.0
OD2 A:ASP736 2.4 36.7 1.0
N4 A:U2C1101 2.9 27.6 1.0
CD2 A:HIS737 3.0 24.2 1.0
CG A:ASP815 3.0 25.0 1.0
CE1 A:HIS737 3.1 24.9 1.0
OD1 A:ASP815 3.3 25.0 1.0
ZN A:ZN1103 3.3 23.7 1.0
CG A:ASP736 3.4 42.1 1.0
C17 A:U2C1101 3.7 32.9 1.0
OD1 A:ASP736 3.7 38.8 1.0
O3 A:U2C1101 3.8 27.1 1.0
O A:HOH1258 4.0 28.4 1.0
NE2 A:HIS732 4.1 21.5 1.0
CG A:HIS737 4.2 25.1 1.0
ND1 A:HIS737 4.2 25.7 1.0
CE1 A:HIS732 4.3 22.4 1.0
CB A:ASP815 4.4 20.6 1.0
CE1 A:HIS994 4.5 24.2 1.0
CB A:ASP736 4.7 33.6 1.0
NE2 A:HIS994 4.7 24.6 1.0
N3 A:U2C1101 4.8 43.6 1.0
C4 A:U2C1101 4.9 44.4 1.0
ND1 A:HIS734 4.9 22.4 1.0
NE2 A:HIS793 5.0 20.6 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 44). To Be Published.
Page generated: Wed Oct 30 18:36:41 2024

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