Atomistry » Chlorine » PDB 4ufw-4uhv » 4ugb
Atomistry »
  Chlorine »
    PDB 4ufw-4uhv »
      4ugb »

Chlorine in PDB 4ugb: Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 6-(((5-(((2-(3-Fluorophenyl)Ethyl)Amino)Methyl)Pyridin-3-Yl)Oxy) Methyl)-4-Methylpyridin-2-Amine

Enzymatic activity of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 6-(((5-(((2-(3-Fluorophenyl)Ethyl)Amino)Methyl)Pyridin-3-Yl)Oxy) Methyl)-4-Methylpyridin-2-Amine

All present enzymatic activity of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 6-(((5-(((2-(3-Fluorophenyl)Ethyl)Amino)Methyl)Pyridin-3-Yl)Oxy) Methyl)-4-Methylpyridin-2-Amine:
1.14.13.165;

Protein crystallography data

The structure of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 6-(((5-(((2-(3-Fluorophenyl)Ethyl)Amino)Methyl)Pyridin-3-Yl)Oxy) Methyl)-4-Methylpyridin-2-Amine, PDB code: 4ugb was solved by J.K.Holden, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.96 / 1.91
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.600, 95.050, 63.080, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 22.8

Other elements in 4ugb:

The structure of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 6-(((5-(((2-(3-Fluorophenyl)Ethyl)Amino)Methyl)Pyridin-3-Yl)Oxy) Methyl)-4-Methylpyridin-2-Amine also contains other interesting chemical elements:

Fluorine (F) 1 atom
Iron (Fe) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 6-(((5-(((2-(3-Fluorophenyl)Ethyl)Amino)Methyl)Pyridin-3-Yl)Oxy) Methyl)-4-Methylpyridin-2-Amine (pdb code 4ugb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 6-(((5-(((2-(3-Fluorophenyl)Ethyl)Amino)Methyl)Pyridin-3-Yl)Oxy) Methyl)-4-Methylpyridin-2-Amine, PDB code: 4ugb:

Chlorine binding site 1 out of 1 in 4ugb

Go back to Chlorine Binding Sites List in 4ugb
Chlorine binding site 1 out of 1 in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 6-(((5-(((2-(3-Fluorophenyl)Ethyl)Amino)Methyl)Pyridin-3-Yl)Oxy) Methyl)-4-Methylpyridin-2-Amine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 6-(((5-(((2-(3-Fluorophenyl)Ethyl)Amino)Methyl)Pyridin-3-Yl)Oxy) Methyl)-4-Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl903

b:27.7
occ:1.00
 OH A:TYR239 2.9 22.9 1.0
O A:HOH2114 3.1 27.5 1.0
O A:HOH2111 3.2 29.0 1.0
ND2 A:ASN248 3.2 23.1 1.0
NE2 A:GLN129 3.3 27.3 1.0
CE1 A:TYR239 3.5 16.8 1.0
O A:HOH2201 3.5 33.0 1.0
CZ A:TYR239 3.7 19.4 1.0
OD1 A:ASN248 3.9 22.4 1.0
OH A:TYR213 3.9 23.9 1.0
CG A:ASN248 4.0 22.0 1.0
CD A:GLN129 4.2 27.8 1.0
OE1 A:GLN129 4.2 24.9 1.0
N11 A:QJ7904 4.5 94.7 1.0
O A:HOH2200 4.7 23.6 1.0
C12 A:QJ7904 4.7 88.0 1.0
NE1 A:TRP212 4.8 20.1 1.0
CD1 A:TYR239 4.8 19.1 1.0
CZ A:TYR213 4.9 24.9 1.0
CZ2 A:TRP212 4.9 20.9 1.0

Reference:

J.K.Holden, D.Dejam, M.C.Lewis, H.Huang, S.Kang, Q.Jing, F.Xue, R.B.Silverman, T.L.Poulos. Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Biochemistry V. 54 4075 2015.
ISSN: ISSN 0006-2960
PubMed: 26062720
DOI: 10.1021/ACS.BIOCHEM.5B00431
Page generated: Sat Dec 12 11:15:17 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