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Arsenic in PDB 1p6m: Bovine Endothelial Nos Heme Domain with (4S)-N-(4-Amino-5- [Aminoethyl]Aminopentyl)-N'-Nitroguanidine Bound

Enzymatic activity of Bovine Endothelial Nos Heme Domain with (4S)-N-(4-Amino-5- [Aminoethyl]Aminopentyl)-N'-Nitroguanidine Bound

All present enzymatic activity of Bovine Endothelial Nos Heme Domain with (4S)-N-(4-Amino-5- [Aminoethyl]Aminopentyl)-N'-Nitroguanidine Bound:
1.14.13.39;

Protein crystallography data

The structure of Bovine Endothelial Nos Heme Domain with (4S)-N-(4-Amino-5- [Aminoethyl]Aminopentyl)-N'-Nitroguanidine Bound, PDB code: 1p6m was solved by M.L.Flinspach, H.Li, J.Jamal, W.Yang, H.Huang, J.-M.Hah, J.A.Gomez-Vidal, E.A.Litzinger, R.B.Silverman, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.85 / 2.27
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.033, 106.085, 156.667, 90.00, 90.00, 90.00
R / Rfree (%) 21.5 / 27.8

Other elements in 1p6m:

The structure of Bovine Endothelial Nos Heme Domain with (4S)-N-(4-Amino-5- [Aminoethyl]Aminopentyl)-N'-Nitroguanidine Bound also contains other interesting chemical elements:

Iron (Fe) 2 atoms
Zinc (Zn) 1 atom

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Bovine Endothelial Nos Heme Domain with (4S)-N-(4-Amino-5- [Aminoethyl]Aminopentyl)-N'-Nitroguanidine Bound (pdb code 1p6m). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Bovine Endothelial Nos Heme Domain with (4S)-N-(4-Amino-5- [Aminoethyl]Aminopentyl)-N'-Nitroguanidine Bound, PDB code: 1p6m:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 1p6m

Go back to Arsenic Binding Sites List in 1p6m
Arsenic binding site 1 out of 2 in the Bovine Endothelial Nos Heme Domain with (4S)-N-(4-Amino-5- [Aminoethyl]Aminopentyl)-N'-Nitroguanidine Bound


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Bovine Endothelial Nos Heme Domain with (4S)-N-(4-Amino-5- [Aminoethyl]Aminopentyl)-N'-Nitroguanidine Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As850

b:95.1
occ:1.00
 AS A:CAC850 0.0 95.1 1.0
C2 A:CAC850 1.8 87.2 1.0
C1 A:CAC850 1.8 87.8 1.0
SG A:CYS384 2.3 79.0 1.0
CB A:CYS384 3.3 65.5 1.0
CA A:CYS384 4.0 61.2 1.0
CE3 A:TRP324 4.5 66.4 1.0
CD2 A:TRP324 4.7 66.5 1.0
CB A:TRP324 4.7 60.1 1.0
CG A:TRP324 4.8 65.0 1.0
N A:CYS384 4.8 58.9 1.0
CD2 A:LEU328 4.9 47.9 1.0

Arsenic binding site 2 out of 2 in 1p6m

Go back to Arsenic Binding Sites List in 1p6m
Arsenic binding site 2 out of 2 in the Bovine Endothelial Nos Heme Domain with (4S)-N-(4-Amino-5- [Aminoethyl]Aminopentyl)-N'-Nitroguanidine Bound


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Bovine Endothelial Nos Heme Domain with (4S)-N-(4-Amino-5- [Aminoethyl]Aminopentyl)-N'-Nitroguanidine Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As852

b:0.8
occ:1.00
 AS B:CAC852 0.0 0.8 1.0
C2 B:CAC852 1.8 0.0 1.0
C1 B:CAC852 1.8 0.9 1.0
SG B:CYS384 3.2 85.0 1.0
CB B:CYS384 3.7 80.1 1.0
CE3 B:TRP324 4.2 91.1 1.0
CA B:CYS384 4.3 79.3 1.0
CD2 B:TRP324 4.6 91.3 1.0
CB B:TRP324 4.7 87.1 1.0
CG B:TRP324 4.8 90.7 1.0
CZ3 B:TRP324 4.8 91.0 1.0

Reference:

M.L.Flinspach, H.Li, J.Jamal, W.Yang, H.Huang, J.M.Hah, J.A.Gomez-Vidal, E.A.Litzinger, R.B.Silverman, T.L.Poulos. Structural Basis For Dipeptide Amide Isoform-Selective Inhibition of Neuronal Nitric Oxide Synthase. Nat.Struct.Mol.Biol. V. 11 54 2004.
ISSN: ISSN 1545-9993
PubMed: 14718923
DOI: 10.1038/NSMB704
Page generated: Tue Oct 27 16:47:03 2020

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