Atomistry » Calcium » PDB 8tr2-8uwm » 8uft
Atomistry »
  Calcium »
    PDB 8tr2-8uwm »
      8uft »

Calcium in PDB 8uft: Structure of Human Endothelial Nitric Oxide Synthase P370N Mutant Heme Domain in Complex with 4-Methyl-7-(4-Methyl-2,3,4,5- Tetrahydrobenzo[F][1,4]Oxazepin-7-Yl)Quinolin-2-Amine

Enzymatic activity of Structure of Human Endothelial Nitric Oxide Synthase P370N Mutant Heme Domain in Complex with 4-Methyl-7-(4-Methyl-2,3,4,5- Tetrahydrobenzo[F][1,4]Oxazepin-7-Yl)Quinolin-2-Amine

All present enzymatic activity of Structure of Human Endothelial Nitric Oxide Synthase P370N Mutant Heme Domain in Complex with 4-Methyl-7-(4-Methyl-2,3,4,5- Tetrahydrobenzo[F][1,4]Oxazepin-7-Yl)Quinolin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Human Endothelial Nitric Oxide Synthase P370N Mutant Heme Domain in Complex with 4-Methyl-7-(4-Methyl-2,3,4,5- Tetrahydrobenzo[F][1,4]Oxazepin-7-Yl)Quinolin-2-Amine, PDB code: 8uft 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) 40.02 / 1.78
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 60.06, 154.607, 108.575, 90, 90.73, 90
R / Rfree (%) 17.5 / 21

Other elements in 8uft:

The structure of Structure of Human Endothelial Nitric Oxide Synthase P370N Mutant Heme Domain in Complex with 4-Methyl-7-(4-Methyl-2,3,4,5- Tetrahydrobenzo[F][1,4]Oxazepin-7-Yl)Quinolin-2-Amine also contains other interesting chemical elements:

Gadolinium (Gd) 4 atoms
Iron (Fe) 4 atoms
Chlorine (Cl) 4 atoms
Zinc (Zn) 2 atoms

Calcium Binding Sites:

The binding sites of Calcium atom in the Structure of Human Endothelial Nitric Oxide Synthase P370N Mutant Heme Domain in Complex with 4-Methyl-7-(4-Methyl-2,3,4,5- Tetrahydrobenzo[F][1,4]Oxazepin-7-Yl)Quinolin-2-Amine (pdb code 8uft). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Structure of Human Endothelial Nitric Oxide Synthase P370N Mutant Heme Domain in Complex with 4-Methyl-7-(4-Methyl-2,3,4,5- Tetrahydrobenzo[F][1,4]Oxazepin-7-Yl)Quinolin-2-Amine, PDB code: 8uft:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in 8uft

Go back to Calcium Binding Sites List in 8uft
Calcium binding site 1 out of 3 in the Structure of Human Endothelial Nitric Oxide Synthase P370N Mutant Heme Domain in Complex with 4-Methyl-7-(4-Methyl-2,3,4,5- Tetrahydrobenzo[F][1,4]Oxazepin-7-Yl)Quinolin-2-Amine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Structure of Human Endothelial Nitric Oxide Synthase P370N Mutant Heme Domain in Complex with 4-Methyl-7-(4-Methyl-2,3,4,5- Tetrahydrobenzo[F][1,4]Oxazepin-7-Yl)Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca510

b:25.1
occ:1.00
 O A:HOH631 1.8 30.2 1.0
O A:HOH673 2.2 46.4 1.0
O A:HOH798 2.3 46.4 1.0
O A:HOH791 2.4 38.8 1.0
OE2 A:GLU167 2.5 53.2 1.0
OE1 A:GLU167 2.5 52.9 1.0
CD A:GLU167 2.8 51.8 1.0
CG A:GLU167 4.3 45.5 1.0
CB A:ASP197 4.9 44.2 1.0

Calcium binding site 2 out of 3 in 8uft

Go back to Calcium Binding Sites List in 8uft
Calcium binding site 2 out of 3 in the Structure of Human Endothelial Nitric Oxide Synthase P370N Mutant Heme Domain in Complex with 4-Methyl-7-(4-Methyl-2,3,4,5- Tetrahydrobenzo[F][1,4]Oxazepin-7-Yl)Quinolin-2-Amine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Structure of Human Endothelial Nitric Oxide Synthase P370N Mutant Heme Domain in Complex with 4-Methyl-7-(4-Methyl-2,3,4,5- Tetrahydrobenzo[F][1,4]Oxazepin-7-Yl)Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Ca511

b:21.0
occ:1.00
 O A:HOH734 2.4 62.6 1.0
O A:HOH644 2.4 43.5 1.0
O A:HOH764 2.5 66.5 1.0
O D:HOH924 2.6 60.7 1.0
O D:HOH906 3.0 49.0 1.0
O A:LEU385 4.2 37.3 1.0
O A:ASP384 4.4 35.2 1.0
O D:HOH901 4.6 48.2 1.0
C A:ASP384 4.6 36.5 1.0
CA A:ASP384 4.8 30.5 1.0
CG1 D:VAL381 4.8 35.2 1.0
C A:LEU385 5.0 38.9 1.0

Calcium binding site 3 out of 3 in 8uft

Go back to Calcium Binding Sites List in 8uft
Calcium binding site 3 out of 3 in the Structure of Human Endothelial Nitric Oxide Synthase P370N Mutant Heme Domain in Complex with 4-Methyl-7-(4-Methyl-2,3,4,5- Tetrahydrobenzo[F][1,4]Oxazepin-7-Yl)Quinolin-2-Amine


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Structure of Human Endothelial Nitric Oxide Synthase P370N Mutant Heme Domain in Complex with 4-Methyl-7-(4-Methyl-2,3,4,5- Tetrahydrobenzo[F][1,4]Oxazepin-7-Yl)Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ca511

b:22.4
occ:1.00
 O B:HOH1001 2.2 57.4 1.0
O B:HOH775 2.2 63.3 1.0
O B:HOH929 2.3 55.6 1.0
O B:HOH1002 2.4 64.4 1.0
O B:HOH996 2.6 60.3 1.0
O B:HOH1006 2.6 74.6 1.0
O B:HOH879 2.6 56.9 1.0
O B:HOH995 2.7 43.5 1.0
OE1 B:GLU156 4.3 41.5 1.0
OE2 B:GLU156 4.6 38.4 1.0
O B:HOH951 4.6 48.0 1.0
CD B:GLU156 4.6 37.0 1.0
CB B:GLN164 4.9 28.2 1.0
CG B:GLN164 5.0 33.2 1.0

Reference:

H.Li, C.D.Hardy, C.T.Reidl, Q.Jing, F.Xue, M.Cinelli, R.B.Silverman, T.L.Poulos. Crystallographic and Computational Insights Into Isoform-Selective Dynamics in Nitric Oxide Synthase. Biochemistry 2024.
ISSN: ISSN 0006-2960
PubMed: 38417024
DOI: 10.1021/ACS.BIOCHEM.3C00601
Page generated: Thu Jul 10 07:38:38 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy