Zinc in PDB 6nf1: 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: 6nf1 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)	48.13 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	67.134, 57.742, 89.419, 90.00, 103.06, 90.00
R / Rfree (%)	19.3 / 23.3

The binding sites of Zinc atom in the VAV1 Inhibited By An Allosteric Inhibitor: VAV1 Inhibitors Block Gef Activity (pdb code 6nf1). 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: 6nf1:
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:Zn603 b:66.3 occ:1.00 ND1 A:HIS554 2.1 56.6 1.0 SG A:CYS529 2.2 64.5 1.0 SG A:CYS557 2.4 66.7 1.0 SG A:CYS532 2.4 72.8 1.0 CB A:CYS529 2.9 60.3 1.0 CE1 A:HIS554 3.1 55.2 1.0 CB A:CYS557 3.1 63.1 1.0 CG A:HIS554 3.2 53.9 1.0 CB A:CYS532 3.4 70.5 1.0 CB A:HIS554 3.5 50.9 1.0 N A:CYS532 3.8 71.5 1.0 N A:HIS554 4.0 52.6 1.0 CA A:CYS532 4.1 71.3 1.0 NE2 A:HIS554 4.2 54.4 1.0 CD2 A:HIS554 4.3 54.4 1.0 CA A:HIS554 4.4 50.8 1.0 CA A:CYS529 4.4 61.2 1.0 CA A:CYS557 4.6 63.2 1.0 CB A:ALA531 4.7 71.6 1.0 C A:ALA531 4.9 76.0 1.0 C A:CYS532 4.9 73.8 1.0 OE2 A:GLU556 5.0 79.0 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:Zn604 b:75.9 occ:1.00 ND1 A:HIS516 1.9 69.4 1.0 SG A:CYS549 2.2 74.7 1.0 SG A:CYS546 2.4 69.4 1.0 SG A:CYS564 2.6 91.2 1.0 CE1 A:HIS516 2.8 69.4 1.0 CG A:HIS516 3.0 68.5 1.0 CB A:CYS564 3.2 88.6 1.0 CB A:CYS546 3.3 63.8 1.0 CB A:CYS549 3.5 72.5 1.0 CB A:HIS516 3.5 65.5 1.0 CA A:HIS516 3.6 66.6 1.0 N A:CYS549 3.8 71.8 1.0 CA A:CYS564 4.0 89.9 1.0 NE2 A:HIS516 4.0 70.2 1.0 CD2 A:HIS516 4.1 70.2 1.0 CA A:CYS549 4.2 71.7 1.0 N A:HIS516 4.3 68.0 1.0 CB A:ARG548 4.5 72.8 1.0 N A:CYS564 4.6 90.4 1.0 CA A:CYS546 4.7 62.7 1.0 N A:ASP517 4.7 68.2 1.0 C A:HIS516 4.8 71.6 1.0 C A:ARG548 4.8 76.3 1.0 CB A:ALA551 4.9 62.1 1.0 C A:GLY515 4.9 73.6 1.0 O A:GLY515 4.9 73.9 1.0 C A:CYS549 5.0 74.0 1.0

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