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Nickel in PDB 8cf0: Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Quinoxalinedione Inhibitor H2

Enzymatic activity of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Quinoxalinedione Inhibitor H2

All present enzymatic activity of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Quinoxalinedione Inhibitor H2:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Quinoxalinedione Inhibitor H2, PDB code: 8cf0 was solved by J.A.Newman, Y.Yosaatmadja, 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) 56.48 / 1.76
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.313, 56.209, 112.951, 90, 90, 90
R / Rfree (%) 22 / 25.7

Other elements in 8cf0:

The structure of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Quinoxalinedione Inhibitor H2 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Nickel Binding Sites:

The binding sites of Nickel atom in the Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Quinoxalinedione Inhibitor H2 (pdb code 8cf0). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Quinoxalinedione Inhibitor H2, PDB code: 8cf0:

Nickel binding site 1 out of 1 in 8cf0

Go back to Nickel Binding Sites List in 8cf0
Nickel binding site 1 out of 1 in the Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Quinoxalinedione Inhibitor H2


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Quinoxalinedione Inhibitor H2 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ni1103

b:24.6
occ:1.00
 O2 A:UF31102 2.0 26.8 1.0
O1 A:UF31102 2.1 28.6 1.0
OD2 A:ASP815 2.2 24.2 1.0
ND1 A:HIS734 2.2 21.9 1.0
NE2 A:HIS732 2.3 23.7 1.0
NE2 A:HIS793 2.3 18.3 1.0
C10 A:UF31102 2.7 32.3 1.0
C11 A:UF31102 2.8 30.7 1.0
CE1 A:HIS734 3.0 24.3 1.0
CD2 A:HIS732 3.1 20.2 1.0
CG A:ASP815 3.2 24.9 1.0
CE1 A:HIS793 3.3 17.3 1.0
CG A:HIS734 3.3 24.2 1.0
CD2 A:HIS793 3.3 16.4 1.0
CE1 A:HIS732 3.3 23.0 1.0
CB A:ASP815 3.6 15.9 1.0
CB A:HIS734 3.7 25.7 1.0
N2 A:UF31102 4.1 35.1 1.0
N3 A:UF31102 4.1 37.0 1.0
NE2 A:HIS737 4.1 26.3 1.0
NE2 A:HIS734 4.2 23.5 1.0
CD2 A:HIS737 4.3 29.1 1.0
CG A:HIS732 4.3 19.9 1.0
OD1 A:ASP815 4.3 21.4 1.0
ND1 A:HIS732 4.3 20.3 1.0
CD2 A:HIS734 4.3 24.6 1.0
ND1 A:HIS793 4.4 19.5 1.0
CG A:HIS793 4.4 15.7 1.0
CE1 A:HIS994 4.6 24.3 1.0
NE2 A:HIS994 4.6 20.2 1.0
O A:HOH1300 4.7 29.9 1.0
O A:HOH1390 4.8 22.2 1.0

Reference:

J.A.Newman, Y.Yosaatmadja, 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 Quinoxalinedione Inhibitor H2 To Be Published.
Page generated: Thu Oct 10 09:38:12 2024

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