Zinc in PDB 8c8b: Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 48).

All present enzymatic activity of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 48).:
3.5.2.6;

The structure of Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 48)., PDB code: 8c8b 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)	36.35 / 1.46
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.69, 57.25, 113.52, 90, 90, 90
R / Rfree (%)	19.5 / 21.7

The binding sites of Zinc atom in the Crystal Structure of Human Dna Cross-Link Repair 1A in Complex with Hydroxamic Acid Inhibitor (Compound 48). (pdb code 8c8b). 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 48)., PDB code: 8c8b:
Jump to Zinc binding site number: 1; 2;

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 48).


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 48). within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1102 b:22.1 occ:1.00 O1 A:U1L1101 1.9 23.1 1.0 NE2 A:HIS793 2.2 19.9 1.0 NE2 A:HIS732 2.2 23.4 1.0 ND1 A:HIS734 2.2 23.5 1.0 O2 A:U1L1101 2.4 29.6 1.0 OD2 A:ASP815 2.4 21.6 1.0 N1 A:U1L1101 2.7 29.9 1.0 C3 A:U1L1101 2.8 36.0 1.0 CD2 A:HIS732 3.0 20.7 1.0 CE1 A:HIS734 3.1 24.6 1.0 CE1 A:HIS793 3.1 16.7 1.0 CD2 A:HIS793 3.2 20.1 1.0 CE1 A:HIS732 3.2 21.6 1.0 CG A:HIS734 3.3 24.8 1.0 ZN A:ZN1103 3.3 21.8 0.7 CG A:ASP815 3.4 22.4 1.0 CB A:HIS734 3.6 24.8 1.0 CB A:ASP815 3.7 18.9 1.0 O A:HOH1344 3.8 35.6 1.0 NE2 A:HIS737 4.1 25.7 1.0 CG A:HIS732 4.2 17.6 1.0 NE2 A:HIS734 4.2 26.5 1.0 ND1 A:HIS793 4.3 19.3 1.0 C2 A:U1L1101 4.3 40.1 1.0 ND1 A:HIS732 4.3 19.1 1.0 CG A:HIS793 4.3 17.8 1.0 CD2 A:HIS734 4.4 28.3 1.0 CD2 A:HIS737 4.4 26.4 1.0 OD1 A:ASP815 4.6 23.6 1.0 C1 A:U1L1101 4.7 37.2 1.0 CE1 A:HIS994 4.7 23.8 1.0 NE2 A:HIS994 4.8 22.2 1.0 O A:HOH1370 4.8 28.1 1.0 O A:HOH1233 4.9 47.1 1.0 CE1 A:HIS737 4.9 23.1 1.0 O A:HOH1221 5.0 27.4 1.0

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 48).


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 48). within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1103 b:21.8 occ:0.69 O1 A:U1L1101 2.0 23.1 1.0 O A:HOH1221 2.1 27.4 1.0 OD2 A:ASP815 2.1 21.6 1.0 NE2 A:HIS737 2.2 25.7 1.0 O A:HOH1344 2.3 35.6 1.0 OD2 A:ASP736 2.6 43.4 1.0 N1 A:U1L1101 2.9 29.9 1.0 CG A:ASP815 3.0 22.4 1.0 CD2 A:HIS737 3.2 26.4 1.0 CE1 A:HIS737 3.2 23.1 1.0 ZN A:ZN1102 3.3 22.1 1.0 OD1 A:ASP815 3.3 23.6 1.0 CG A:ASP736 3.6 39.8 1.0 C3 A:U1L1101 3.7 36.0 1.0 O2 A:U1L1101 3.8 29.6 1.0 OD1 A:ASP736 3.9 36.5 1.0 O A:HOH1321 4.0 27.8 1.0 NE2 A:HIS732 4.1 23.4 1.0 CE1 A:HIS732 4.3 21.6 1.0 CG A:HIS737 4.3 26.6 1.0 ND1 A:HIS737 4.3 24.7 1.0 CB A:ASP815 4.4 18.9 1.0 CE1 A:HIS994 4.6 23.8 1.0 N5 A:U1L1101 4.7 40.4 1.0 CB A:ASP736 4.9 34.1 1.0 NE2 A:HIS994 4.9 22.2 1.0

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.