Zinc in PDB 6nfa: VAV1 Inhibited By An Allosteric Inhibitor: VAV1 Inhibitors Block Gef Activity

The structure of VAV1 Inhibited By An Allosteric Inhibitor: VAV1 Inhibitors Block Gef Activity, PDB code: 6nfa was solved by M.S.Knapp, R.A.Elling, E.Ornelas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.30 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.880, 67.641, 179.544, 90.00, 90.00, 90.00
R / Rfree (%)	18.8 / 24.2

The binding sites of Zinc atom in the VAV1 Inhibited By An Allosteric Inhibitor: VAV1 Inhibitors Block Gef Activity (pdb code 6nfa). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the VAV1 Inhibited By An Allosteric Inhibitor: VAV1 Inhibitors Block Gef Activity, PDB code: 6nfa:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the VAV1 Inhibited By An Allosteric Inhibitor: VAV1 Inhibitors Block Gef Activity


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of VAV1 Inhibited By An Allosteric Inhibitor: VAV1 Inhibitors Block Gef Activity within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn601 b:31.9 occ:1.00 ND1 A:HIS516 1.9 24.9 1.0 SG A:CYS549 2.2 31.5 1.0 SG A:CYS546 2.3 32.5 1.0 SG A:CYS564 2.5 48.2 1.0 CE1 A:HIS516 2.7 24.5 1.0 CB A:CYS564 3.0 44.8 1.0 CG A:HIS516 3.1 23.9 1.0 CB A:CYS546 3.2 27.3 1.0 CB A:CYS549 3.4 30.5 1.0 CA A:CYS564 3.6 46.4 1.0 CB A:HIS516 3.6 21.2 1.0 CA A:HIS516 3.7 23.2 1.0 N A:CYS549 3.8 34.9 1.0 NE2 A:HIS516 3.9 24.9 1.0 CD2 A:HIS516 4.1 24.7 1.0 CA A:CYS549 4.2 32.3 1.0 CB A:ARG548 4.3 34.4 1.0 N A:CYS564 4.4 46.1 1.0 N A:HIS516 4.5 25.9 1.0 CA A:CYS546 4.6 26.6 1.0 N A:ASP517 4.6 30.8 1.0 C A:HIS516 4.7 32.7 1.0 C A:ARG548 4.8 42.7 1.0 C A:CYS564 4.8 56.6 1.0 O A:GLY515 4.8 34.5 1.0 CA A:ARG548 4.9 37.5 1.0 C A:CYS549 5.0 37.1 1.0

Zinc binding site 2 out of 2 in the VAV1 Inhibited By An Allosteric Inhibitor: VAV1 Inhibitors Block Gef Activity


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of VAV1 Inhibited By An Allosteric Inhibitor: VAV1 Inhibitors Block Gef Activity within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn602 b:36.0 occ:1.00 ND1 A:HIS554 2.2 31.2 1.0 SG A:CYS557 2.3 32.4 1.0 SG A:CYS532 2.3 42.6 1.0 SG A:CYS529 2.4 30.4 1.0 CB A:CYS529 3.1 26.8 1.0 CE1 A:HIS554 3.1 31.1 1.0 CB A:CYS557 3.2 28.3 1.0 CG A:HIS554 3.2 27.4 1.0 CB A:CYS532 3.5 40.3 1.0 CB A:HIS554 3.5 23.1 1.0 N A:CYS532 3.9 41.9 1.0 N A:HIS554 4.0 20.9 1.0 CA A:CYS532 4.3 41.3 1.0 NE2 A:HIS554 4.3 30.9 1.0 CD2 A:HIS554 4.4 29.6 1.0 CA A:HIS554 4.4 20.8 1.0 CA A:CYS529 4.6 27.2 1.0 CA A:CYS557 4.6 28.0 1.0 CB A:ALA531 4.8 40.1 1.0 C A:ALA531 5.0 46.7 1.0

M.Gerspacher, P.R.Skaanderup. Allosteric Inhibitors of VAV1 Block Guanine Nucleotide Exchange Activity To Be Published.