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Chlorine in PDB 5g6l: Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 7-((4-Chloro-3-((Methylamino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine

Enzymatic activity of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 7-((4-Chloro-3-((Methylamino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine

All present enzymatic activity of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 7-((4-Chloro-3-((Methylamino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine:
1.14.13.165;

Protein crystallography data

The structure of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 7-((4-Chloro-3-((Methylamino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine, PDB code: 5g6l 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) 37.39 / 2.03
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 80.710, 94.390, 61.260, 90.00, 90.00, 90.00
R / Rfree (%) 21.3 / 25.6

Other elements in 5g6l:

The structure of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 7-((4-Chloro-3-((Methylamino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine also contains other interesting chemical elements:

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 7-((4-Chloro-3-((Methylamino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine (pdb code 5g6l). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 7-((4-Chloro-3-((Methylamino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine, PDB code: 5g6l:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5g6l

Go back to Chlorine Binding Sites List in 5g6l
Chlorine binding site 1 out of 2 in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 7-((4-Chloro-3-((Methylamino)Methyl)Phenoxy)Methyl) Quinolin-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 7-((4-Chloro-3-((Methylamino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl903

b:29.7
occ:1.00
 OH A:TYR239 2.9 22.8 1.0
ND2 A:ASN248 3.1 29.4 1.0
NE2 A:GLN129 3.3 18.7 1.0
CE1 A:TYR239 3.5 26.9 1.0
O A:HOH2011 3.6 34.2 1.0
CZ A:TYR239 3.7 25.5 1.0
OH A:TYR213 3.7 26.7 1.0
CG A:ASN248 3.9 26.2 1.0
OD1 A:ASN248 3.9 24.4 1.0
OE1 A:GLN129 4.1 25.5 1.0
CD A:GLN129 4.2 22.7 1.0
O A:HOH2031 4.5 27.6 1.0
NE1 A:TRP212 4.6 20.8 1.0
CZ A:TYR213 4.8 25.1 1.0
CZ2 A:TRP212 4.8 21.8 1.0
CD1 A:TYR239 4.8 27.3 1.0

Chlorine binding site 2 out of 2 in 5g6l

Go back to Chlorine Binding Sites List in 5g6l
Chlorine binding site 2 out of 2 in the Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 7-((4-Chloro-3-((Methylamino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Bacillus Subtilis Nitric Oxide Synthase in Complex with 7-((4-Chloro-3-((Methylamino)Methyl)Phenoxy)Methyl) Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl904

b:96.2
occ:1.00
 CL A:XEB904 0.0 96.2 1.0
C24 A:XEB904 1.8 57.6 1.0
C23 A:XEB904 2.8 54.1 1.0
C25 A:XEB904 2.8 57.4 1.0
C28 A:XEB904 3.1 58.2 1.0
NZ A:LYS360 3.7 54.6 1.0
CE1 A:TYR357 3.8 35.5 1.0
CZ A:TYR357 4.0 36.3 1.0
C22 A:XEB904 4.1 48.9 1.0
C26 A:XEB904 4.1 53.3 1.0
CD1 A:TYR357 4.2 37.3 1.0
OH A:TYR357 4.4 38.1 1.0
CE A:LYS360 4.4 58.7 1.0
O A:HOH2026 4.5 36.1 1.0
N29 A:XEB904 4.5 58.0 1.0
C21 A:XEB904 4.6 48.5 1.0
CE2 A:TYR357 4.6 32.7 1.0
CG A:TYR357 4.8 38.3 1.0
CE1 A:HIS128 4.8 30.8 1.0
OD2 A:ASP220 4.9 56.5 1.0
CD2 A:TYR357 4.9 33.6 1.0
ND1 A:HIS128 4.9 31.8 1.0

Reference:

J.K.Holden, M.C.Lewis, M.A.Cinelli, Z.Abdullatif, A.V.Pensa, R.B.Silverman, T.L.Poulos. Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors. Biochemistry V. 55 5587 2016.
ISSN: ISSN 1520-4995
PubMed: 27607918
DOI: 10.1021/ACS.BIOCHEM.6B00786
Page generated: Fri Jul 26 08:26:55 2024

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