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Vanadium in PDB 5aa6: Homohexameric Structure of the Second Vanadate-Dependent Bromoperoxidase (Anii) From Ascophyllum Nodosum

Enzymatic activity of Homohexameric Structure of the Second Vanadate-Dependent Bromoperoxidase (Anii) From Ascophyllum Nodosum

All present enzymatic activity of Homohexameric Structure of the Second Vanadate-Dependent Bromoperoxidase (Anii) From Ascophyllum Nodosum:
1.11.1.18;

Protein crystallography data

The structure of Homohexameric Structure of the Second Vanadate-Dependent Bromoperoxidase (Anii) From Ascophyllum Nodosum, PDB code: 5aa6 was solved by M.Radlow, A.Jeudy, J.Dabin, L.Delage, C.Leblanc, J.Hartung, M.Czjzek, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 70.00 / 2.26
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 67.790, 236.840, 118.000, 90.00, 93.74, 90.00
R / Rfree (%) 17 / 23.6

Vanadium Binding Sites:

The binding sites of Vanadium atom in the Homohexameric Structure of the Second Vanadate-Dependent Bromoperoxidase (Anii) From Ascophyllum Nodosum (pdb code 5aa6). This binding sites where shown within 5.0 Angstroms radius around Vanadium atom.
In total 6 binding sites of Vanadium where determined in the Homohexameric Structure of the Second Vanadate-Dependent Bromoperoxidase (Anii) From Ascophyllum Nodosum, PDB code: 5aa6:
Jump to Vanadium binding site number: 1; 2; 3; 4; 5; 6;

Vanadium binding site 1 out of 6 in 5aa6

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Vanadium binding site 1 out of 6 in the Homohexameric Structure of the Second Vanadate-Dependent Bromoperoxidase (Anii) From Ascophyllum Nodosum


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 1 of Homohexameric Structure of the Second Vanadate-Dependent Bromoperoxidase (Anii) From Ascophyllum Nodosum within 5.0Å range:
probe atom residue distance (Å) B Occ
A:V800

b:19.2
occ:0.90
 V A:VO4800 0.0 19.2 0.9
O2 A:VO4800 1.9 16.1 1.0
O4 A:VO4800 1.9 16.1 1.0
O3 A:VO4800 1.9 16.8 1.0
O1 A:VO4800 1.9 16.5 0.9
NE2 A:HIS536 2.9 10.4 1.0
NH2 A:ARG530 3.4 10.1 1.0
NE2 A:HIS444 3.7 8.6 1.0
N A:GLY450 3.8 9.0 1.0
CD2 A:HIS536 3.8 10.3 1.0
NE A:ARG530 3.8 10.2 1.0
CE1 A:HIS536 3.9 10.2 1.0
CZ A:ARG530 4.0 10.4 1.0
ND1 A:HIS451 4.0 10.1 1.0
OG A:SER449 4.1 10.4 1.0
NH2 A:ARG382 4.1 8.9 1.0
NZ A:LYS374 4.1 8.0 1.0
O A:HOH2351 4.2 5.3 1.0
NH1 A:ARG382 4.2 9.2 1.0
CE1 A:HIS444 4.4 8.7 1.0
N A:HIS451 4.4 8.9 1.0
CA A:SER449 4.4 9.6 1.0
CA A:GLY450 4.4 8.7 1.0
C A:SER449 4.5 9.4 1.0
CZ A:ARG382 4.6 9.3 1.0
CG A:PRO442 4.6 10.8 1.0
CB A:SER449 4.6 10.0 1.0
CD2 A:HIS444 4.7 8.7 1.0
O A:HOH2431 4.8 16.6 1.0
CE1 A:HIS451 4.8 10.1 1.0
CE A:LYS374 4.9 8.0 1.0
C A:GLY450 4.9 8.7 1.0

Vanadium binding site 2 out of 6 in 5aa6

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Vanadium binding site 2 out of 6 in the Homohexameric Structure of the Second Vanadate-Dependent Bromoperoxidase (Anii) From Ascophyllum Nodosum


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 2 of Homohexameric Structure of the Second Vanadate-Dependent Bromoperoxidase (Anii) From Ascophyllum Nodosum within 5.0Å range:
probe atom residue distance (Å) B Occ
B:V800

b:29.1
occ:1.00
 V B:VO4800 0.0 29.1 1.0
O2 B:VO4800 1.9 25.3 1.0
O4 B:VO4800 1.9 27.5 1.0
O3 B:VO4800 1.9 26.9 1.0
O1 B:VO4800 1.9 26.4 1.0
NE2 B:HIS536 3.1 12.7 1.0
NH2 B:ARG530 3.4 12.3 1.0
NE2 B:HIS444 3.6 13.5 1.0
N B:GLY450 3.6 14.4 1.0
ND1 B:HIS451 3.8 14.9 1.0
NE B:ARG530 3.8 12.6 1.0
CD2 B:HIS536 3.9 12.1 1.0
OG B:SER449 4.0 15.3 1.0
CZ B:ARG530 4.0 12.7 1.0
CE1 B:HIS536 4.1 12.4 1.0
NH2 B:ARG382 4.2 13.0 1.0
CA B:SER449 4.2 15.0 1.0
N B:HIS451 4.3 13.9 1.0
NZ B:LYS374 4.3 12.6 1.0
CE1 B:HIS444 4.4 13.6 1.0
O B:HOH2282 4.4 5.9 1.0
NH1 B:ARG382 4.4 13.4 1.0
C B:SER449 4.4 14.5 1.0
CA B:GLY450 4.4 14.0 1.0
CB B:SER449 4.4 15.1 1.0
CE1 B:HIS451 4.5 15.0 1.0
CD2 B:HIS444 4.6 13.6 1.0
CG B:PRO442 4.7 15.3 1.0
CZ B:ARG382 4.8 13.7 1.0
CG B:HIS451 4.8 14.8 1.0
O B:HOH2338 4.9 22.7 1.0
C B:GLY450 4.9 13.9 1.0
CD B:ARG530 5.0 12.3 1.0

Vanadium binding site 3 out of 6 in 5aa6

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Vanadium binding site 3 out of 6 in the Homohexameric Structure of the Second Vanadate-Dependent Bromoperoxidase (Anii) From Ascophyllum Nodosum


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 3 of Homohexameric Structure of the Second Vanadate-Dependent Bromoperoxidase (Anii) From Ascophyllum Nodosum within 5.0Å range:
probe atom residue distance (Å) B Occ
C:V800

b:32.0
occ:1.00
 V C:VO4800 0.0 32.0 1.0
O2 C:VO4800 1.9 28.7 1.0
O4 C:VO4800 1.9 27.8 1.0
O3 C:VO4800 1.9 27.2 1.0
O1 C:VO4800 1.9 27.8 1.0
NE2 C:HIS536 3.2 15.9 1.0
NE2 C:HIS444 3.5 14.6 1.0
NH2 C:ARG530 3.6 14.9 1.0
ND1 C:HIS451 3.7 14.5 1.0
N C:GLY450 3.8 14.1 1.0
CD2 C:HIS536 3.9 15.7 1.0
NE C:ARG530 3.9 14.1 1.0
O C:HOH2247 4.1 9.3 1.0
NH2 C:ARG382 4.1 16.9 1.0
NZ C:LYS374 4.2 15.7 1.0
CE1 C:HIS444 4.2 14.6 1.0
CZ C:ARG530 4.2 14.9 1.0
CE1 C:HIS536 4.3 16.1 1.0
N C:HIS451 4.3 14.1 1.0
NH1 C:ARG382 4.3 16.0 1.0
CA C:SER449 4.4 14.3 1.0
CA C:GLY450 4.5 13.8 1.0
CE1 C:HIS451 4.5 14.0 1.0
CD2 C:HIS444 4.5 14.8 1.0
OG C:SER449 4.5 13.4 1.0
C C:SER449 4.5 14.6 1.0
CG C:PRO442 4.7 17.4 1.0
CB C:SER449 4.7 14.1 1.0
CZ C:ARG382 4.7 17.1 1.0
CG C:HIS451 4.8 14.2 1.0
O C:HOH2249 4.8 14.7 0.9
C C:GLY450 4.9 14.4 1.0

Vanadium binding site 4 out of 6 in 5aa6

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Vanadium binding site 4 out of 6 in the Homohexameric Structure of the Second Vanadate-Dependent Bromoperoxidase (Anii) From Ascophyllum Nodosum


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 4 of Homohexameric Structure of the Second Vanadate-Dependent Bromoperoxidase (Anii) From Ascophyllum Nodosum within 5.0Å range:
probe atom residue distance (Å) B Occ
D:V800

b:26.3
occ:1.00
 V D:VO4800 0.0 26.3 1.0
O2 D:VO4800 1.9 23.7 1.0
O3 D:VO4800 1.9 23.3 1.0
O4 D:VO4800 1.9 25.0 1.0
O1 D:VO4800 1.9 24.1 1.0
NE2 D:HIS536 3.0 19.0 1.0
NE2 D:HIS444 3.6 10.8 1.0
N D:GLY450 3.6 12.5 1.0
NH2 D:ARG530 3.7 12.2 1.0
ND1 D:HIS451 3.9 11.1 1.0
CD2 D:HIS536 3.9 18.6 1.0
NE D:ARG530 3.9 12.2 1.0
CE1 D:HIS536 3.9 18.7 1.0
O D:HOH2355 4.0 11.1 1.0
NH2 D:ARG382 4.1 16.1 1.0
CZ D:ARG530 4.1 12.7 1.0
N D:HIS451 4.2 10.9 1.0
NZ D:LYS374 4.2 14.0 1.0
OG D:SER449 4.2 13.3 1.0
CA D:GLY450 4.3 11.8 1.0
NH1 D:ARG382 4.3 16.4 1.0
CE1 D:HIS444 4.4 11.2 1.0
CA D:SER449 4.4 13.1 1.0
C D:SER449 4.5 12.8 1.0
CD2 D:HIS444 4.6 11.1 1.0
CE1 D:HIS451 4.6 10.6 1.0
CZ D:ARG382 4.7 16.1 1.0
CG D:PRO442 4.8 13.1 1.0
C D:GLY450 4.8 11.1 1.0
CB D:SER449 4.8 13.0 1.0
CE D:LYS374 4.8 14.4 1.0
CG D:HIS451 4.9 10.9 1.0

Vanadium binding site 5 out of 6 in 5aa6

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Vanadium binding site 5 out of 6 in the Homohexameric Structure of the Second Vanadate-Dependent Bromoperoxidase (Anii) From Ascophyllum Nodosum


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 5 of Homohexameric Structure of the Second Vanadate-Dependent Bromoperoxidase (Anii) From Ascophyllum Nodosum within 5.0Å range:
probe atom residue distance (Å) B Occ
E:V800

b:20.2
occ:0.90
 V E:VO4800 0.0 20.2 0.9
O4 E:VO4800 1.9 18.7 0.9
O2 E:VO4800 1.9 18.7 0.9
O1 E:VO4800 1.9 19.6 0.8
O3 E:VO4800 1.9 18.0 0.8
NE2 E:HIS536 3.1 12.1 1.0
NH2 E:ARG530 3.4 9.2 1.0
NE2 E:HIS444 3.5 11.5 1.0
N E:GLY450 3.7 9.2 1.0
ND1 E:HIS451 4.0 9.4 1.0
NE E:ARG530 4.0 9.5 1.0
NH2 E:ARG382 4.0 12.8 1.0
CD2 E:HIS536 4.0 11.8 1.0
CE1 E:HIS536 4.1 12.2 1.0
CZ E:ARG530 4.1 9.3 1.0
NZ E:LYS374 4.1 10.4 1.0
O E:HOH2231 4.1 20.9 1.0
NH1 E:ARG382 4.3 12.3 1.0
CE1 E:HIS444 4.3 11.4 1.0
OG E:SER449 4.3 10.0 1.0
CA E:GLY450 4.4 9.2 1.0
N E:HIS451 4.4 8.9 1.0
CA E:SER449 4.4 9.8 1.0
CD2 E:HIS444 4.5 11.6 1.0
C E:SER449 4.5 9.7 1.0
CE1 E:HIS451 4.6 8.8 1.0
CZ E:ARG382 4.6 12.5 1.0
CG E:PRO442 4.8 12.0 1.0
O E:HOH2298 4.8 39.0 1.0
CB E:SER449 4.8 9.9 1.0
CE E:LYS374 4.9 10.9 1.0
C E:GLY450 4.9 9.0 1.0
O E:HOH2299 5.0 17.5 1.0

Vanadium binding site 6 out of 6 in 5aa6

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Vanadium binding site 6 out of 6 in the Homohexameric Structure of the Second Vanadate-Dependent Bromoperoxidase (Anii) From Ascophyllum Nodosum


Mono view


Stereo pair view

A full contact list of Vanadium with other atoms in the V binding site number 6 of Homohexameric Structure of the Second Vanadate-Dependent Bromoperoxidase (Anii) From Ascophyllum Nodosum within 5.0Å range:
probe atom residue distance (Å) B Occ
F:V800

b:24.0
occ:1.00
 V F:VO4800 0.0 24.0 1.0
O3 F:VO4800 1.9 22.4 1.0
O4 F:VO4800 1.9 23.5 1.0
O2 F:VO4800 1.9 21.8 1.0
O1 F:VO4800 1.9 22.0 1.0
NE2 F:HIS536 2.9 11.5 1.0
NH2 F:ARG530 3.6 10.3 1.0
N F:GLY450 3.7 12.2 1.0
NE2 F:HIS444 3.7 11.6 1.0
CD2 F:HIS536 3.8 11.4 1.0
OG F:SER449 3.9 12.7 1.0
ND1 F:HIS451 3.9 12.2 1.0
NE F:ARG530 3.9 9.8 1.0
CE1 F:HIS536 3.9 11.5 1.0
O F:HOH2260 4.1 7.9 1.0
NH2 F:ARG382 4.1 16.2 1.0
N F:HIS451 4.2 11.3 1.0
CZ F:ARG530 4.2 10.3 1.0
CA F:SER449 4.3 12.3 1.0
NH1 F:ARG382 4.3 14.6 1.0
CA F:GLY450 4.3 11.3 1.0
CE1 F:HIS444 4.3 11.1 1.0
NZ F:LYS374 4.4 13.3 1.0
C F:SER449 4.4 12.3 1.0
CB F:SER449 4.6 12.7 1.0
O F:HOH2333 4.7 14.8 0.6
CE1 F:HIS451 4.7 11.8 1.0
CZ F:ARG382 4.7 15.6 1.0
CG F:PRO442 4.8 11.0 1.0
C F:GLY450 4.8 11.3 1.0
CD2 F:HIS444 4.8 11.6 1.0
CG F:HIS451 4.8 11.4 1.0
O F:HOH2332 4.9 18.0 0.9
CE F:LYS374 4.9 13.3 1.0
CB F:HIS451 5.0 11.4 1.0

Reference:

M.Radlow, M.Czjzek, A.Jeudy, J.Dabin, L.Delage, C.Leblanc, J.Hartung. Homohexameric Structure of the Second Vanadate Dependant Bromoperoxidase From Ascophyllum Nodosum To Be Published.
Page generated: Fri Oct 11 19:55:45 2024

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