Zinc in PDB 7gqt: Crystal Structure of Werner Helicase Fragment 517-945 in Complex with Atp

The structure of Crystal Structure of Werner Helicase Fragment 517-945 in Complex with Atp, PDB code: 7gqt was solved by M.Classen, J.Benz, D.Brugger, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.66 / 2.21
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.227, 90.227, 54.002, 90, 102.82, 90
R / Rfree (%)	20.5 / 26.3

The structure of Crystal Structure of Werner Helicase Fragment 517-945 in Complex with Atp also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Zinc atom in the Crystal Structure of Werner Helicase Fragment 517-945 in Complex with Atp (pdb code 7gqt). 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 Werner Helicase Fragment 517-945 in Complex with Atp, PDB code: 7gqt:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Werner Helicase Fragment 517-945 in Complex with Atp


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 Werner Helicase Fragment 517-945 in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:34.6 occ:1.00 SG A:CYS908 2.3 33.5 1.0 SG A:CYS936 2.3 27.5 1.0 SG A:CYS935 2.3 27.5 1.0 SG A:CYS939 2.4 27.1 1.0 CB A:CYS908 3.4 33.4 1.0 CB A:CYS936 3.4 27.8 1.0 CB A:CYS935 3.4 33.7 1.0 CB A:CYS939 3.5 31.6 1.0 CA A:CYS908 3.7 28.2 1.0 N A:CYS936 3.8 30.4 1.0 N A:ARG909 4.1 26.9 1.0 CA A:CYS936 4.2 27.8 1.0 C A:CYS935 4.2 30.9 1.0 C A:CYS908 4.3 28.7 1.0 N A:GLY931 4.3 39.8 1.0 CB A:ARG910 4.3 28.7 1.0 N A:ARG910 4.3 27.9 1.0 N A:CYS939 4.4 33.2 1.0 CA A:CYS935 4.5 33.4 1.0 CA A:CYS939 4.6 32.4 1.0 O A:CYS935 4.8 27.8 1.0 O A:CYS936 4.8 28.6 1.0 C A:CYS936 4.8 29.1 1.0 CA A:MET930 4.8 46.4 1.0 CG A:MET930 4.9 42.6 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Werner Helicase Fragment 517-945 in Complex with Atp


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 Werner Helicase Fragment 517-945 in Complex with Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1003 b:23.7 occ:1.00 OE2 A:GLU563 2.2 33.8 1.0 NE2 A:HIS558 2.3 33.1 1.0 CD A:GLU563 3.1 32.5 1.0 CD2 A:HIS558 3.2 31.3 1.0 CE1 A:HIS558 3.2 30.4 1.0 CG A:GLU563 3.4 29.9 1.0 CD A:PRO530 4.1 35.6 1.0 OE1 A:GLU563 4.2 34.5 1.0 CG A:PRO530 4.2 33.3 1.0 ND1 A:HIS558 4.3 30.6 1.0 CG A:HIS558 4.3 31.9 1.0 CB A:GLU563 4.9 32.4 1.0

K.A.Baltgalvis, K.N.Lamb, K.T.Symons, C.C.Wu, M.A.Hoffman, A.N.Snead, X.Song, T.Glaza, S.Kikuchi, J.C.Green, D.C.Rogness, B.Lam, M.E.Rodriguez-Aguirre, D.R.Woody, C.L.Eissler, S.Rodiles, S.M.Negron, S.M.Bernard, E.Tran, J.Pollock, A.Tabatabaei, V.Contreras, H.N.Williams, M.K.Pastuszka, J.J.Sigler, P.Pettazzoni, M.G.Rudolph, M.Classen, D.Brugger, C.Claiborne, J.M.Plancher, I.Cuartas, J.Seoane, L.E.Burgess, R.T.Abraham, D.S.Weinstein, G.M.Simon, M.P.Patricelli, T.M.Kinsella. Chemoproteomic Discovery of A Covalent Allosteric Inhibitor of Wrn Helicase Nature 2024.
ISSN: ESSN 1476-4687
DOI: 10.1038/S41586-024-07318-Y