Zinc in PDB 6gvw: Crystal Structure of the BRCA1-A Complex

The structure of Crystal Structure of the BRCA1-A Complex, PDB code: 6gvw was solved by R.D.Bunker, J.Rabl, N.H.Thoma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.99 / 3.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	97.096, 122.645, 431.325, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 25.9

The binding sites of Zinc atom in the Crystal Structure of the BRCA1-A Complex (pdb code 6gvw). 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 the BRCA1-A Complex, PDB code: 6gvw:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the BRCA1-A Complex


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 the BRCA1-A Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn301 b:0.6 occ:1.00 O B:HOH1000 1.9 0.8 1.0 NE2 B:HIS122 2.0 0.3 1.0 NE2 B:HIS124 2.0 0.0 1.0 OD2 B:ASP135 2.1 0.3 1.0 OD1 B:ASP135 2.1 0.7 1.0 CG B:ASP135 2.3 0.3 1.0 CD2 B:HIS122 2.8 0.8 1.0 CE1 B:HIS124 2.8 0.0 1.0 HE1 B:HIS124 2.9 0.2 1.0 HD2 B:HIS122 3.0 0.3 1.0 CE1 B:HIS122 3.1 0.8 1.0 CD2 B:HIS124 3.2 0.7 1.0 HE1 B:HIS122 3.4 0.6 1.0 HD2 B:HIS124 3.4 0.4 1.0 HD13 B:ILE153 3.8 0.0 1.0 CB B:ASP135 3.8 0.7 1.0 CG B:HIS122 4.0 0.2 1.0 HB3 B:ASP135 4.0 0.8 1.0 ND1 B:HIS124 4.0 0.7 1.0 ND1 B:HIS122 4.0 0.0 1.0 H B:SER132 4.1 0.3 1.0 OE2 B:GLU33 4.1 0.8 1.0 CG B:HIS124 4.2 0.6 1.0 HB2 B:ASP135 4.2 0.2 1.0 HA B:PRO131 4.4 0.9 1.0 HG22 B:VAL90 4.4 0.0 1.0 OD1 B:ASP88 4.5 0.6 1.0 HA B:ASP88 4.5 0.8 1.0 HA B:ASP135 4.6 0.7 1.0 HG23 B:VAL90 4.6 0.7 1.0 HB B:VAL90 4.7 0.6 1.0 HD1 B:HIS124 4.7 50.0 0.0 CD1 B:ILE153 4.7 0.0 1.0 OG B:SER132 4.8 0.7 1.0 CA B:ASP135 4.8 1.0 1.0 HG12 B:ILE153 4.8 0.4 1.0 HD1 B:HIS122 4.8 50.0 0.0 HG B:SER132 4.8 50.0 0.0 HG22 B:ILE153 4.9 1.0 1.0 HD12 B:ILE153 4.9 0.3 1.0 CG2 B:VAL90 4.9 0.2 1.0 H B:ASP135 5.0 0.2 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the BRCA1-A Complex


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 the BRCA1-A Complex within 5.0Å range: probe atom residue distance (Å) B Occ G:Zn301 b:0.8 occ:1.00 NE2 G:HIS124 2.0 0.8 1.0 O G:HOH1000 2.0 0.5 1.0 OD2 G:ASP135 2.1 0.0 1.0 OD1 G:ASP135 2.1 0.2 1.0 NE2 G:HIS122 2.1 0.1 1.0 CG G:ASP135 2.3 0.7 1.0 CE1 G:HIS124 2.8 0.8 1.0 CD2 G:HIS122 2.9 0.1 1.0 HE1 G:HIS124 2.9 0.4 1.0 HD2 G:HIS122 3.0 0.2 1.0 CE1 G:HIS122 3.2 0.1 1.0 CD2 G:HIS124 3.2 0.0 1.0 HE1 G:HIS122 3.5 0.1 1.0 HD2 G:HIS124 3.5 0.4 1.0 CB G:ASP135 3.8 0.9 1.0 HD13 G:ILE153 3.9 0.6 1.0 ND1 G:HIS124 4.0 0.6 1.0 CG G:HIS122 4.0 1.0 1.0 HB3 G:ASP135 4.0 0.3 1.0 H G:SER132 4.1 0.3 1.0 OE1 G:GLU33 4.1 0.0 1.0 ND1 G:HIS122 4.1 0.3 1.0 CG G:HIS124 4.2 0.2 1.0 HB2 G:ASP135 4.3 0.5 1.0 OD1 G:ASP88 4.3 0.7 1.0 HA G:PRO131 4.4 1.0 1.0 HA G:ASP88 4.5 0.3 1.0 HG G:SER132 4.6 50.0 0.0 HA G:ASP135 4.6 0.2 1.0 OG G:SER132 4.6 0.3 1.0 HD1 G:HIS124 4.7 50.0 0.0 HG12 G:ILE153 4.7 1.0 1.0 CD1 G:ILE153 4.8 0.3 1.0 CA G:ASP135 4.8 0.6 1.0 HG22 G:VAL90 4.8 0.9 1.0 HB G:VAL90 4.8 0.1 1.0 HG23 G:VAL90 4.9 0.6 1.0 H G:ASP135 4.9 0.2 1.0 HD12 G:ILE153 4.9 0.2 1.0 HD1 G:HIS122 5.0 50.0 0.0 N G:SER132 5.0 0.9 1.0 HB3 G:SER132 5.0 0.0 1.0

J.Rabl, R.D.Bunker, A.D.Schenk, S.Cavadini, M.E.Gill, W.Abdulrahman, A.Andres-Pons, M.S.Luijsterburg, A.F.M.Ibrahim, E.Branigan, J.D.Aguirre, A.H.Marceau, C.Guerillon, T.Bouwmeester, U.Hassiepen, A.H.F.M.Peters, M.Renatus, L.Gelman, S.M.Rubin, N.Mailand, H.Van Attikum, R.T.Hay, N.H.Thoma. Structural Basis of BRCC36 Function in Dna Repair and Immune Regulation. Mol.Cell V. 75 483 2019.
ISSN: ISSN 1097-2765
PubMed: 31253574
DOI: 10.1016/J.MOLCEL.2019.06.002