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Zinc in PDB 4d1p: Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-((((3S, 5R)-5-(((6-Amino-4- Methylpyridin-2-Yl)Methoxy)Methyl)Pyrrolidin-3-Yl)Oxy) Methyl)-4-Methylpyridin-2-Amine

Enzymatic activity of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-((((3S, 5R)-5-(((6-Amino-4- Methylpyridin-2-Yl)Methoxy)Methyl)Pyrrolidin-3-Yl)Oxy) Methyl)-4-Methylpyridin-2-Amine

All present enzymatic activity of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-((((3S, 5R)-5-(((6-Amino-4- Methylpyridin-2-Yl)Methoxy)Methyl)Pyrrolidin-3-Yl)Oxy) Methyl)-4-Methylpyridin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-((((3S, 5R)-5-(((6-Amino-4- Methylpyridin-2-Yl)Methoxy)Methyl)Pyrrolidin-3-Yl)Oxy) Methyl)-4-Methylpyridin-2-Amine, PDB code: 4d1p was solved by H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.357 / 1.73
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.226, 110.378, 153.670, 90.00, 90.00, 90.00
R / Rfree (%) 15.66 / 18.65

Other elements in 4d1p:

The structure of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-((((3S, 5R)-5-(((6-Amino-4- Methylpyridin-2-Yl)Methoxy)Methyl)Pyrrolidin-3-Yl)Oxy) Methyl)-4-Methylpyridin-2-Amine also contains other interesting chemical elements:

Gadolinium (Gd) 2 atoms
Iron (Fe) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-((((3S, 5R)-5-(((6-Amino-4- Methylpyridin-2-Yl)Methoxy)Methyl)Pyrrolidin-3-Yl)Oxy) Methyl)-4-Methylpyridin-2-Amine (pdb code 4d1p). 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 Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-((((3S, 5R)-5-(((6-Amino-4- Methylpyridin-2-Yl)Methoxy)Methyl)Pyrrolidin-3-Yl)Oxy) Methyl)-4-Methylpyridin-2-Amine, PDB code: 4d1p:

Zinc binding site 1 out of 1 in 4d1p

Go back to Zinc Binding Sites List in 4d1p
Zinc binding site 1 out of 1 in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-((((3S, 5R)-5-(((6-Amino-4- Methylpyridin-2-Yl)Methoxy)Methyl)Pyrrolidin-3-Yl)Oxy) Methyl)-4-Methylpyridin-2-Amine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-((((3S, 5R)-5-(((6-Amino-4- Methylpyridin-2-Yl)Methoxy)Methyl)Pyrrolidin-3-Yl)Oxy) Methyl)-4-Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn900

b:18.8
occ:1.00
 SG B:CYS99 2.3 18.2 1.0
SG A:CYS99 2.3 18.6 1.0
SG B:CYS94 2.4 19.4 1.0
SG A:CYS94 2.4 18.6 1.0
CB B:CYS99 3.2 18.9 1.0
CB A:CYS99 3.3 18.8 1.0
CB B:CYS94 3.4 20.3 1.0
CB A:CYS94 3.4 20.2 1.0
CA B:CYS99 3.7 17.3 1.0
CA A:CYS99 3.8 16.3 1.0
N B:GLY101 4.0 22.2 1.0
N A:GLY101 4.1 18.0 1.0
N B:LEU100 4.1 19.4 1.0
N A:LEU100 4.2 16.2 1.0
C B:CYS99 4.3 19.1 1.0
C A:CYS99 4.4 17.3 1.0
CA A:GLY101 4.4 20.3 1.0
CA B:GLY101 4.4 21.0 1.0
CA B:CYS94 4.7 23.9 1.0
O A:HOH2177 4.8 43.3 1.0
CA A:CYS94 4.8 21.8 1.0
C B:LEU100 5.0 22.6 1.0

Reference:

H.Li, J.Jamal, C.Plaza, S.H.Pineda, G.Chreifi, Q.Jing, M.A.Cinelli, R.B.Silverman, T.L.Poulos. Structures of Human Constitutive Nitric Oxide Synthases Acta Crystallogr.,Sect.D V. 70 2667 2014.
ISSN: ISSN 0907-4449
PubMed: 25286850
DOI: 10.1107/S1399004714017064
Page generated: Wed Dec 16 05:10:18 2020

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