Vanadium in PDB 3w36: Crystal Structure of Holo-Type Bacterial Vanadium-Dependent Chloroperoxidase

All present enzymatic activity of Crystal Structure of Holo-Type Bacterial Vanadium-Dependent Chloroperoxidase:
1.11.1.10;

The structure of Crystal Structure of Holo-Type Bacterial Vanadium-Dependent Chloroperoxidase, PDB code: 3w36 was solved by D.K.Liscombe, A.Miyanaga, E.Fielding, P.Bernhardt, A.Li, J.M.Winter, M.K.Gilson, J.P.Noel, B.S.Moore, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.41 / 1.97
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.530, 135.090, 159.370, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 24.3

The binding sites of Vanadium atom in the Crystal Structure of Holo-Type Bacterial Vanadium-Dependent Chloroperoxidase (pdb code 3w36). This binding sites where shown within 5.0 Angstroms radius around Vanadium atom.
In total 2 binding sites of Vanadium where determined in the Crystal Structure of Holo-Type Bacterial Vanadium-Dependent Chloroperoxidase, PDB code: 3w36:
Jump to Vanadium binding site number: 1; 2;

Vanadium binding site 1 out of 2 in the Crystal Structure of Holo-Type Bacterial Vanadium-Dependent Chloroperoxidase


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 1 of Crystal Structure of Holo-Type Bacterial Vanadium-Dependent Chloroperoxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:V600 b:27.0 occ:1.00 V A:VO4600 0.0 27.0 1.0 O2 A:VO4600 1.8 26.6 1.0 O3 A:VO4600 1.9 27.8 1.0 O1 A:VO4600 1.9 27.2 1.0 O4 A:VO4600 2.0 27.4 1.0 NE2 A:HIS494 2.2 24.7 1.0 CE1 A:HIS494 3.2 25.9 1.0 CD2 A:HIS494 3.2 25.3 1.0 O A:HOH812 3.6 48.0 1.0 N A:GLY426 3.7 33.5 1.0 NH2 A:ARG488 3.8 22.9 1.0 OG A:SER425 3.9 35.6 1.0 OG A:SER427 4.0 35.3 1.0 CE1 A:HIS420 4.1 23.6 1.0 N A:SER427 4.1 29.6 1.0 NH2 A:ARG379 4.1 26.1 1.0 CA A:SER425 4.2 34.8 1.0 NE A:ARG488 4.2 23.1 1.0 NH1 A:ARG379 4.2 24.7 1.0 NZ A:LYS372 4.3 28.4 1.0 ND1 A:HIS494 4.3 26.0 1.0 CG A:HIS494 4.4 26.2 1.0 C A:SER425 4.4 35.0 1.0 CB A:SER425 4.4 35.3 1.0 CZ A:ARG488 4.5 23.4 1.0 CA A:GLY426 4.5 31.3 1.0 O A:HOH763 4.6 31.3 1.0 CZ A:ARG379 4.6 25.3 1.0 CB A:SER427 4.7 30.3 1.0 ND1 A:HIS420 4.8 24.6 1.0 C A:GLY426 4.8 29.8 1.0

Vanadium binding site 2 out of 2 in the Crystal Structure of Holo-Type Bacterial Vanadium-Dependent Chloroperoxidase


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 2 of Crystal Structure of Holo-Type Bacterial Vanadium-Dependent Chloroperoxidase within 5.0Å range: probe atom residue distance (Å) B Occ B:V600 b:17.8 occ:1.00 V B:VO4600 0.0 17.8 1.0 O2 B:VO4600 1.8 18.2 1.0 O1 B:VO4600 1.9 18.9 1.0 O3 B:VO4600 1.9 17.4 1.0 O4 B:VO4600 2.1 18.9 1.0 NE2 B:HIS494 2.1 17.0 1.0 CE1 B:HIS494 3.1 17.3 1.0 CD2 B:HIS494 3.2 17.1 1.0 N B:GLY426 3.7 18.5 1.0 NH2 B:ARG488 3.9 20.6 1.0 OG B:SER425 4.0 19.4 1.0 CE1 B:HIS420 4.1 17.8 1.0 NH2 B:ARG379 4.1 15.6 1.0 NH1 B:ARG379 4.1 15.5 1.0 N B:SER427 4.2 18.3 1.0 ND1 B:HIS494 4.2 17.6 1.0 CA B:SER425 4.2 18.8 1.0 OG B:SER427 4.2 19.5 1.0 CG B:HIS494 4.3 17.4 1.0 NE B:ARG488 4.3 19.1 1.0 NZ B:LYS372 4.4 16.8 1.0 C B:SER425 4.4 18.9 1.0 CB B:SER425 4.4 19.2 1.0 O B:HOH808 4.4 29.4 1.0 CA B:GLY426 4.6 18.3 1.0 CZ B:ARG379 4.6 15.7 1.0 CZ B:ARG488 4.6 19.7 1.0 CB B:SER427 4.7 18.2 1.0 ND1 B:HIS420 4.8 18.1 1.0 C B:GLY426 4.9 18.3 1.0

D.K.Liscombe, A.Miyanaga, E.Fielding, P.Bernhardt, A.Li, J.M.Winter, M.K.Gilson, J.P.Noel, B.S.Moore. Structure-Function Analysis of A Bacterial Vanadium-Dependent Chloroperoxidase To Be Published.