Vanadium in PDB 4erc: Structure of Vhz Bound to Metavanadate

All present enzymatic activity of Structure of Vhz Bound to Metavanadate:
3.1.3.16; 3.1.3.48;

The structure of Structure of Vhz Bound to Metavanadate, PDB code: 4erc was solved by K.Vyacheslav, C.H.Alvan, J.J.Sean, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.32 / 1.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	32.992, 79.970, 99.718, 90.00, 90.00, 90.00
R / Rfree (%)	12.8 / 14.5

The binding sites of Vanadium atom in the Structure of Vhz Bound to Metavanadate (pdb code 4erc). This binding sites where shown within 5.0 Angstroms radius around Vanadium atom.
In total 2 binding sites of Vanadium where determined in the Structure of Vhz Bound to Metavanadate, PDB code: 4erc:
Jump to Vanadium binding site number: 1; 2;

Vanadium binding site 1 out of 2 in the Structure of Vhz Bound to Metavanadate


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 1 of Structure of Vhz Bound to Metavanadate within 5.0Å range: probe atom residue distance (Å) B Occ A:V201 b:7.5 occ:1.00 V A:VN4201 0.0 7.5 1.0 O1 A:VN4201 1.7 7.7 1.0 O2 A:VN4201 1.7 7.1 1.0 O3 A:VN4201 1.7 7.9 1.0 SG A:CYS95 2.4 6.7 1.0 H A:GLY100 3.0 8.8 1.0 HE A:ARG101 3.0 8.1 1.0 H A:LEU97 3.0 7.7 1.0 HB2 A:CYS95 3.1 8.7 1.0 HH21 A:ARG101 3.1 8.8 1.0 H A:ARG101 3.2 8.0 1.0 H A:PHE99 3.3 7.9 1.0 H A:ALA96 3.4 7.8 1.0 CB A:CYS95 3.4 7.3 1.0 H A:GLY98 3.4 7.8 1.0 HB2 A:LEU97 3.6 8.9 1.0 N A:GLY100 3.7 7.4 1.0 NE A:ARG101 3.8 6.8 1.0 HB2 A:ARG101 3.8 8.2 1.0 N A:LEU97 3.9 6.5 1.0 NH2 A:ARG101 3.9 7.4 1.0 HB3 A:CYS95 3.9 8.7 1.0 N A:ARG101 4.0 6.7 1.0 N A:ALA96 4.0 6.5 1.0 OD1 A:ASP65 4.1 8.9 1.0 HA3 A:GLY100 4.1 8.6 1.0 N A:GLY98 4.1 6.5 1.0 N A:PHE99 4.1 6.6 1.0 HB3 A:ALA96 4.2 9.0 1.0 O A:HOH302 4.2 9.1 1.0 H A:THR102 4.2 7.7 1.0 OE1 A:GLU134 4.2 10.4 1.0 CA A:GLY100 4.3 7.2 1.0 CZ A:ARG101 4.3 7.5 1.0 HG3 A:ARG101 4.3 8.3 1.0 CB A:LEU97 4.4 7.5 1.0 HG A:LEU97 4.5 11.8 1.0 CA A:LEU97 4.5 6.6 1.0 CA A:CYS95 4.5 6.7 1.0 HB2 A:PHE99 4.6 8.5 1.0 HH22 A:ARG101 4.6 8.8 1.0 CB A:ARG101 4.6 6.8 1.0 C A:CYS95 4.6 6.4 1.0 C A:GLY100 4.7 7.1 1.0 C A:PHE99 4.7 7.2 1.0 C A:LEU97 4.7 6.5 1.0 CA A:ALA96 4.8 6.6 1.0 CG A:ARG101 4.8 7.0 1.0 CA A:PHE99 4.8 7.0 1.0 C A:ALA96 4.8 6.7 1.0 HG1 A:THR102 4.9 9.7 1.0 CA A:ARG101 4.9 7.2 1.0 CA A:GLY98 4.9 6.7 1.0 CB A:ALA96 4.9 7.5 1.0 CD A:ARG101 4.9 7.6 1.0 C A:GLY98 4.9 6.6 1.0 HA2 A:GLY98 4.9 8.0 1.0 CG A:ASP65 5.0 9.1 1.0

Vanadium binding site 2 out of 2 in the Structure of Vhz Bound to Metavanadate


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 2 of Structure of Vhz Bound to Metavanadate within 5.0Å range: probe atom residue distance (Å) B Occ B:V201 b:12.8 occ:0.86 V B:VN4201 0.0 12.8 0.9 O1 B:VN4201 1.7 12.2 0.9 O3 B:VN4201 1.7 13.3 0.9 O2 B:VN4201 1.7 12.2 0.9 SG B:CYS95 2.4 13.1 1.0 H B:GLY100 2.9 13.6 1.0 H B:LEU97 3.0 17.6 1.0 HH21 B:ARG101 3.0 17.7 1.0 HE B:ARG101 3.1 16.4 1.0 HB2 B:CYS95 3.1 15.5 1.0 H B:PHE99 3.2 13.3 1.0 H B:ARG101 3.3 14.0 1.0 H B:GLY98 3.3 14.4 1.0 H B:ALA96 3.4 16.7 1.0 CB B:CYS95 3.4 13.0 1.0 HB2 B:LEU97 3.6 16.8 1.0 N B:GLY100 3.7 11.4 1.0 NH2 B:ARG101 3.8 14.8 1.0 N B:LEU97 3.8 14.7 1.0 NE B:ARG101 3.8 13.7 1.0 HB2 B:ARG101 3.9 13.8 1.0 N B:GLY98 3.9 12.1 1.0 N B:PHE99 4.0 11.2 1.0 HB3 B:CYS95 4.0 15.5 1.0 N B:ALA96 4.0 14.0 1.0 N B:ARG101 4.0 11.7 1.0 OD1 B:ASP65 4.1 17.6 1.0 HA3 B:GLY100 4.1 13.4 1.0 O B:HOH422 4.1 12.2 0.8 O B:HOH368 4.2 18.8 0.7 OE1 B:GLU134 4.3 15.7 1.0 H B:THR102 4.3 12.3 1.0 HB3 B:ALA96 4.3 18.6 1.0 CZ B:ARG101 4.3 14.1 1.0 CA B:GLY100 4.3 11.3 1.0 HB2 B:PHE99 4.4 15.1 1.0 CB B:LEU97 4.4 14.1 1.0 CA B:LEU97 4.5 13.6 1.0 HG3 B:ARG101 4.5 15.0 1.0 HH22 B:ARG101 4.5 17.7 1.0 C B:LEU97 4.6 12.1 1.0 C B:PHE99 4.6 10.0 1.0 CA B:CYS95 4.6 12.5 1.0 C B:CYS95 4.7 13.6 1.0 HG B:LEU97 4.7 22.9 1.0 CB B:ARG101 4.7 11.5 1.0 CA B:PHE99 4.7 12.1 1.0 C B:GLY100 4.7 10.1 1.0 CA B:GLY98 4.7 11.9 1.0 C B:GLY98 4.8 12.6 1.0 CA B:ALA96 4.8 15.5 1.0 C B:ALA96 4.8 14.8 1.0 HA2 B:GLY98 4.8 14.2 1.0 CG B:ARG101 4.9 12.6 1.0 CA B:ARG101 5.0 11.7 1.0 HG1 B:THR102 5.0 17.3 1.0 CD B:ARG101 5.0 13.4 1.0 CB B:ALA96 5.0 15.6 1.0

V.I.Kuznetsov, A.C.Hengge, S.J.Johnson. New Aspects of the Phosphatase Vhz Revealed By A High-Resolution Structure with Vanadate and Substrate Screening. Biochemistry V. 51 9869 2012.
ISSN: ISSN 0006-2960
PubMed: 23145819
DOI: 10.1021/BI300908Y