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Chlorine in PDB 8pfz: Pseudomonas Aeruginosa Fabf C164A Mutant in Complex with(S)-2-(1H- Pyrazole-3-Carboxamido)Butanoic Acid

Enzymatic activity of Pseudomonas Aeruginosa Fabf C164A Mutant in Complex with(S)-2-(1H- Pyrazole-3-Carboxamido)Butanoic Acid

All present enzymatic activity of Pseudomonas Aeruginosa Fabf C164A Mutant in Complex with(S)-2-(1H- Pyrazole-3-Carboxamido)Butanoic Acid:
2.3.1.179;

Protein crystallography data

The structure of Pseudomonas Aeruginosa Fabf C164A Mutant in Complex with(S)-2-(1H- Pyrazole-3-Carboxamido)Butanoic Acid, PDB code: 8pfz was solved by C.Georgiou, R.Brenk, V.Yadrykhinsky, L.O.Espeland, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.61 / 1.78
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 101.16, 103.56, 141.2, 90, 90, 90
R / Rfree (%) 18.8 / 22.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pseudomonas Aeruginosa Fabf C164A Mutant in Complex with(S)-2-(1H- Pyrazole-3-Carboxamido)Butanoic Acid (pdb code 8pfz). 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 Pseudomonas Aeruginosa Fabf C164A Mutant in Complex with(S)-2-(1H- Pyrazole-3-Carboxamido)Butanoic Acid, PDB code: 8pfz:

Chlorine binding site 1 out of 1 in 8pfz

Go back to Chlorine Binding Sites List in 8pfz
Chlorine binding site 1 out of 1 in the Pseudomonas Aeruginosa Fabf C164A Mutant in Complex with(S)-2-(1H- Pyrazole-3-Carboxamido)Butanoic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pseudomonas Aeruginosa Fabf C164A Mutant in Complex with(S)-2-(1H- Pyrazole-3-Carboxamido)Butanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl514

b:84.9
occ:1.00
 N B:MET270 3.2 52.6 1.0
CG B:MET270 3.2 90.0 1.0
CD2 B:HIS269 3.4 69.1 1.0
CG B:HIS269 3.5 61.8 1.0
NE2 B:HIS269 3.6 71.6 1.0
CA B:HIS269 3.7 46.5 1.0
ND1 B:HIS269 3.7 68.7 1.0
CB B:MET270 3.8 72.4 1.0
CE1 B:HIS269 3.8 66.5 1.0
C B:HIS269 3.9 48.4 1.0
CA B:MET270 4.1 61.9 1.0
CB B:HIS269 4.2 51.0 1.0
SD B:MET270 4.4 104.3 1.0
CE B:MET270 4.7 94.5 1.0
N B:HIS269 5.0 42.8 1.0

Reference:

C.Georgiou, L.O.Espeland, H.Bukya, V.Yadrykhinsky, B.E.Haug, P.Mainkar, R.Brenk. New Starting Points For Antibiotics Targeting P. Aeruginosa Fabf Discovered By Crystallographic Fragment Screening Followed By Hit Expansion Chemrxiv 2023.
ISSN: ISSN 2573-2293
DOI: 10.26434/CHEMRXIV-2023-CWK25
Page generated: Sun Jul 13 13:09:05 2025

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