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Gadolinium in PDB 7m56: Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(3-Aminophenethyl)Phenoxy)Methyl)Quinolin-2-Amine

Enzymatic activity of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(3-Aminophenethyl)Phenoxy)Methyl)Quinolin-2-Amine

All present enzymatic activity of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(3-Aminophenethyl)Phenoxy)Methyl)Quinolin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(3-Aminophenethyl)Phenoxy)Methyl)Quinolin-2-Amine, PDB code: 7m56 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) 39.55 / 1.96
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 62.067, 109.564, 146.436, 90, 90, 90
R / Rfree (%) 17.3 / 21

Other elements in 7m56:

The structure of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(3-Aminophenethyl)Phenoxy)Methyl)Quinolin-2-Amine also contains other interesting chemical elements:

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

Gadolinium Binding Sites:

The binding sites of Gadolinium atom in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(3-Aminophenethyl)Phenoxy)Methyl)Quinolin-2-Amine (pdb code 7m56). This binding sites where shown within 5.0 Angstroms radius around Gadolinium atom.
In total only one binding site of Gadolinium was determined in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(3-Aminophenethyl)Phenoxy)Methyl)Quinolin-2-Amine, PDB code: 7m56:

Gadolinium binding site 1 out of 1 in 7m56

Go back to Gadolinium Binding Sites List in 7m56
Gadolinium binding site 1 out of 1 in the Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(3-Aminophenethyl)Phenoxy)Methyl)Quinolin-2-Amine


Mono view


Stereo pair view

A full contact list of Gadolinium with other atoms in the Gd binding site number 1 of Structure of Human Endothelial Nitric Oxide Synthase Heme Domain in Complex with 7-((3-(3-Aminophenethyl)Phenoxy)Methyl)Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Gd506

b:29.5
occ:1.00
 O B:THR319 2.5 22.5 1.0
O3 B:BTB505 2.5 35.1 1.0
O4 B:BTB505 2.5 34.5 1.0
OE1 B:GLU321 2.6 38.5 1.0
O B:HOH736 2.6 29.5 1.0
O6 B:BTB505 2.6 30.4 1.0
O8 B:BTB505 2.6 31.5 1.0
N B:BTB505 2.8 25.0 1.0
C6 B:BTB505 3.3 31.7 1.0
C8 B:BTB505 3.3 31.4 1.0
C5 B:BTB505 3.4 24.4 1.0
C2 B:BTB505 3.5 37.1 1.0
CD B:GLU321 3.5 35.8 1.0
C3 B:BTB505 3.6 32.7 1.0
C4 B:BTB505 3.6 39.0 1.0
C B:THR319 3.6 35.4 1.0
C7 B:BTB505 3.6 33.9 1.0
OE2 B:GLU321 3.8 34.5 1.0
CA B:THR319 4.3 22.9 1.0
O B:HOH673 4.5 40.0 1.0
O B:HOH652 4.5 33.1 1.0
CB B:THR319 4.5 28.0 1.0
N B:LEU320 4.6 31.3 1.0
N B:GLU321 4.6 25.9 1.0
CA B:LEU320 4.6 24.8 1.0
O B:HOH821 4.7 49.6 1.0
O B:HOH683 4.7 51.8 1.0
CG B:GLU321 4.9 27.5 1.0
C1 B:BTB505 5.0 41.4 1.0

Reference:

M.C.Lewis, P.M.Weerawarnab, H.Li, R.B.Silverman, T.L.Poulos. Inhibition of Bacterial Nitric Oxide Synthase As An Antimicrobial Tool in Fighting Some Antibiotic-Resistant Pathogens To Be Published.
Page generated: Sat Aug 10 22:19:40 2024

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