Atomistry » Zinc » PDB 3jpy-3jyg » 3jwz
Atomistry »
  Zinc »
    PDB 3jpy-3jyg »
      3jwz »

Zinc in PDB 3jwz: Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-[(3' S,4' R)-4'-((6"-Amino-4"-Methylpyridin-2"-Yl)Methyl) Pyrrolidin-3'-Yl]-N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride

Enzymatic activity of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-[(3' S,4' R)-4'-((6"-Amino-4"-Methylpyridin-2"-Yl)Methyl) Pyrrolidin-3'-Yl]-N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride

All present enzymatic activity of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-[(3' S,4' R)-4'-((6"-Amino-4"-Methylpyridin-2"-Yl)Methyl) Pyrrolidin-3'-Yl]-N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride:
1.14.13.39;

Protein crystallography data

The structure of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-[(3' S,4' R)-4'-((6"-Amino-4"-Methylpyridin-2"-Yl)Methyl) Pyrrolidin-3'-Yl]-N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride, PDB code: 3jwz was solved by S.L.Delker, H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.65 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.005, 106.486, 156.980, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 22.8

Other elements in 3jwz:

The structure of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-[(3' S,4' R)-4'-((6"-Amino-4"-Methylpyridin-2"-Yl)Methyl) Pyrrolidin-3'-Yl]-N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride also contains other interesting chemical elements:

Fluorine (F) 2 atoms
Arsenic (As) 2 atoms
Iron (Fe) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-[(3' S,4' R)-4'-((6"-Amino-4"-Methylpyridin-2"-Yl)Methyl) Pyrrolidin-3'-Yl]-N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride (pdb code 3jwz). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-[(3' S,4' R)-4'-((6"-Amino-4"-Methylpyridin-2"-Yl)Methyl) Pyrrolidin-3'-Yl]-N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride, PDB code: 3jwz:

Zinc binding site 1 out of 1 in 3jwz

Go back to Zinc Binding Sites List in 3jwz
Zinc binding site 1 out of 1 in the Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-[(3' S,4' R)-4'-((6"-Amino-4"-Methylpyridin-2"-Yl)Methyl) Pyrrolidin-3'-Yl]-N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1-[(3' S,4' R)-4'-((6"-Amino-4"-Methylpyridin-2"-Yl)Methyl) Pyrrolidin-3'-Yl]-N2-(3'-Fluorophenethyl)Ethane-1,2-Diamine Tetrahydrochloride within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn900

b:28.7
occ:1.00
SG B:CYS96 2.3 28.7 1.0
SG A:CYS101 2.4 24.4 1.0
SG A:CYS96 2.4 29.5 1.0
SG B:CYS101 2.4 24.6 1.0
CB A:CYS101 3.2 29.1 1.0
CB B:CYS101 3.3 28.2 1.0
CB B:CYS96 3.5 31.3 1.0
CB A:CYS96 3.5 32.2 1.0
CA A:CYS101 3.7 30.3 1.0
CA B:CYS101 3.7 29.3 1.0
N B:GLY103 4.0 29.1 1.0
N B:LEU102 4.1 29.3 1.0
N A:GLY103 4.1 29.4 1.0
N A:LEU102 4.1 29.9 1.0
C A:CYS101 4.2 30.2 1.0
C B:CYS101 4.3 29.2 1.0
CA A:GLY103 4.4 28.5 1.0
CA B:GLY103 4.4 28.1 1.0
CA B:CYS96 4.8 32.4 1.0
CA A:CYS96 4.8 33.6 1.0
N A:CYS101 4.9 31.6 1.0
N B:CYS101 4.9 30.5 1.0
C A:LEU102 5.0 29.1 1.0

Reference:

S.L.Delker, H.Ji, H.Li, J.Jamal, J.Fang, F.Xue, R.B.Silverman, T.L.Poulos. Unexpected Binding Modes of Nitric Oxide Synthase Inhibitors Effective in the Prevention of A Cerebral Palsy Phenotype in An Animal Model. J.Am.Chem.Soc. V. 132 5437 2010.
ISSN: ISSN 0002-7863
PubMed: 20337441
DOI: 10.1021/JA910228A
Page generated: Wed Dec 16 04:29:01 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy