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Chlorine in PDB 4bnk: Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Fluoro-2-Phenoxyphenol

Enzymatic activity of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Fluoro-2-Phenoxyphenol

All present enzymatic activity of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Fluoro-2-Phenoxyphenol:
1.3.1.10;

Protein crystallography data

The structure of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Fluoro-2-Phenoxyphenol, PDB code: 4bnk was solved by J.Schiebel, A.Chang, G.R.Bommineni, P.J.Tonge, C.Kisker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.11 / 2.50
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 90.610, 95.010, 94.950, 98.12, 97.00, 112.79
R / Rfree (%) 17.998 / 25.006

Other elements in 4bnk:

The structure of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Fluoro-2-Phenoxyphenol also contains other interesting chemical elements:

Fluorine (F) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Fluoro-2-Phenoxyphenol (pdb code 4bnk). 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 Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Fluoro-2-Phenoxyphenol, PDB code: 4bnk:

Chlorine binding site 1 out of 1 in 4bnk

Go back to Chlorine Binding Sites List in 4bnk
Chlorine binding site 1 out of 1 in the Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Fluoro-2-Phenoxyphenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of S. Aureus Fabi in Complex with Nadp and 5-Fluoro-2-Phenoxyphenol within 5.0Å range:
probe atom residue distance (Å) B Occ
E:Cl1257

b:64.9
occ:1.00
O E:HOH2075 3.0 6.6 1.0
NZ A:LYS199 3.8 70.2 1.0
N E:GLY203 3.9 53.2 1.0
NH1 E:ARG103 4.0 61.3 1.0
CA E:GLY202 4.3 54.8 1.0
CD A:LYS199 4.5 60.6 1.0
C E:GLY202 4.6 52.0 1.0
NH2 E:ARG103 4.7 60.0 1.0
CE A:LYS199 4.8 61.9 1.0
CA E:GLY203 4.8 51.4 1.0
CZ E:ARG103 4.9 59.3 1.0
O E:VAL201 4.9 50.7 1.0

Reference:

A.Chang, J.Schiebel, W.Yu, G.R.Bommineni, P.Pan, M.V.Baxter, A.Khanna, C.A.Sotriffer, C.F.Kisker, P.J.Tonge. Rational Optimization of Drug-Target Residence Time: Insights From Inhibitor Binding to the S. Aureus Fabi Enzyme-Product Complex. Biochemistry V. 52 4217 2013.
ISSN: ISSN 0006-2960
PubMed: 23697754
DOI: 10.1021/BI400413C
Page generated: Sat Dec 12 10:26:55 2020

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