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Vanadium in PDB 1qi9: X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution

Enzymatic activity of X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution

All present enzymatic activity of X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution:
1.11.1.10;

Protein crystallography data

The structure of X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution, PDB code: 1qi9 was solved by M.Weyand, H.-J.Hecht, M.Kiess, M.F.Liaud, H.Vilter, D.Schomburg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.00 / 2.05
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 113.190, 113.190, 272.300, 90.00, 90.00, 90.00
R / Rfree (%) 16.5 / 21.9

Other elements in 1qi9:

The structure of X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution also contains other interesting chemical elements:

Iodine (I) 5 atoms

Vanadium Binding Sites:

The binding sites of Vanadium atom in the X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution (pdb code 1qi9). This binding sites where shown within 5.0 Angstroms radius around Vanadium atom.
In total 2 binding sites of Vanadium where determined in the X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution, PDB code: 1qi9:
Jump to Vanadium binding site number: 1; 2;

Vanadium binding site 1 out of 2 in 1qi9

Go back to Vanadium Binding Sites List in 1qi9
Vanadium binding site 1 out of 2 in the X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 1 of X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:V600

b:3.2
occ:1.00
V A:VO4600 0.0 3.2 1.0
O3 A:VO4600 1.5 2.1 1.0
O1 A:VO4600 1.6 3.7 1.0
O2 A:VO4600 1.6 3.3 1.0
O4 A:VO4600 1.8 2.1 1.0
NE2 A:HIS486 2.1 2.2 1.0
CD2 A:HIS486 3.1 2.1 1.0
CE1 A:HIS486 3.2 4.2 1.0
NH2 A:ARG480 3.7 3.4 1.0
N A:GLY417 3.8 3.5 1.0
OG A:SER416 3.9 3.3 1.0
NE A:ARG480 3.9 2.1 1.0
NH2 A:ARG349 4.0 3.0 1.0
NH1 A:ARG349 4.0 2.9 1.0
O A:HOH1350 4.0 12.6 1.0
CE1 A:HIS411 4.1 2.5 1.0
CA A:SER416 4.2 5.2 1.0
ND1 A:HIS418 4.2 3.8 1.0
CZ A:ARG480 4.3 3.2 1.0
ND1 A:HIS486 4.3 2.9 1.0
CG A:HIS486 4.3 2.1 1.0
NZ A:LYS341 4.3 3.9 1.0
CB A:SER416 4.4 3.9 1.0
N A:HIS418 4.4 4.0 1.0
C A:SER416 4.5 4.5 1.0
CZ A:ARG349 4.5 2.1 1.0
CA A:GLY417 4.7 4.2 1.0
NE2 A:HIS411 4.9 2.7 1.0
CB A:HIS418 5.0 4.1 1.0
CG A:HIS418 5.0 3.2 1.0
CD1 A:ILE485 5.0 3.7 1.0

Vanadium binding site 2 out of 2 in 1qi9

Go back to Vanadium Binding Sites List in 1qi9
Vanadium binding site 2 out of 2 in the X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 2 of X-Ray Siras Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:V600

b:5.1
occ:1.00
V B:VO4600 0.0 5.1 1.0
O1 B:VO4600 1.5 2.1 1.0
O3 B:VO4600 1.6 4.8 1.0
O2 B:VO4600 1.6 2.3 1.0
O4 B:VO4600 1.8 6.4 1.0
NE2 B:HIS486 2.1 6.9 1.0
CD2 B:HIS486 3.1 5.7 1.0
CE1 B:HIS486 3.1 8.7 1.0
N B:GLY417 3.8 2.9 1.0
NH2 B:ARG480 3.8 3.0 1.0
OG B:SER416 3.9 2.9 1.0
NE B:ARG480 3.9 5.2 1.0
O B:HOH1387 4.0 21.2 1.0
NH2 B:ARG349 4.0 3.7 1.0
NH1 B:ARG349 4.0 4.4 1.0
CE1 B:HIS411 4.1 3.7 1.0
CA B:SER416 4.2 3.7 1.0
ND1 B:HIS418 4.2 2.1 1.0
N B:HIS418 4.3 3.5 1.0
ND1 B:HIS486 4.3 8.0 1.0
CG B:HIS486 4.3 7.4 1.0
NZ B:LYS341 4.3 9.2 1.0
CZ B:ARG480 4.4 4.7 1.0
CB B:SER416 4.4 3.8 1.0
C B:SER416 4.5 3.6 1.0
CZ B:ARG349 4.5 5.6 1.0
CA B:GLY417 4.7 3.4 1.0
O B:HOH1382 4.7 19.4 1.0
CG B:PRO409 4.8 6.8 1.0
NE2 B:HIS411 4.8 3.2 1.0
CB B:HIS418 4.9 3.9 1.0
CG B:HIS418 4.9 4.4 1.0
CG B:ARG480 5.0 2.7 1.0
CD1 B:ILE485 5.0 2.1 1.0

Reference:

M.Weyand, H.Hecht, M.Kiess, M.Liaud, H.Vilter, D.Schomburg. X-Ray Structure Determination of A Vanadium-Dependent Haloperoxidase From Ascophyllum Nodosum at 2.0 A Resolution. J.Mol.Biol. V. 293 595 1999.
ISSN: ISSN 0022-2836
PubMed: 10543953
DOI: 10.1006/JMBI.1999.3179
Page generated: Wed Dec 16 02:30:12 2020

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