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Chlorine in PDB 8pd1: Pseudomonas Aeruginosa Fabf C164A Mutant in Complex with N-Isopropyl- 1H-Imidazole-4-Carboxamide

Enzymatic activity of Pseudomonas Aeruginosa Fabf C164A Mutant in Complex with N-Isopropyl- 1H-Imidazole-4-Carboxamide

All present enzymatic activity of Pseudomonas Aeruginosa Fabf C164A Mutant in Complex with N-Isopropyl- 1H-Imidazole-4-Carboxamide:
2.3.1.179;

Protein crystallography data

The structure of Pseudomonas Aeruginosa Fabf C164A Mutant in Complex with N-Isopropyl- 1H-Imidazole-4-Carboxamide, PDB code: 8pd1 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) 48.71 / 1.87
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 100.99, 103.76, 141.61, 90, 90, 90
R / Rfree (%) 15.8 / 19.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pseudomonas Aeruginosa Fabf C164A Mutant in Complex with N-Isopropyl- 1H-Imidazole-4-Carboxamide (pdb code 8pd1). 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 N-Isopropyl- 1H-Imidazole-4-Carboxamide, PDB code: 8pd1:

Chlorine binding site 1 out of 1 in 8pd1

Go back to Chlorine Binding Sites List in 8pd1
Chlorine binding site 1 out of 1 in the Pseudomonas Aeruginosa Fabf C164A Mutant in Complex with N-Isopropyl- 1H-Imidazole-4-Carboxamide


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 N-Isopropyl- 1H-Imidazole-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl513

b:75.3
occ:1.00
 N B:MET270 3.0 46.2 1.0
CD2 B:HIS269 3.6 56.0 1.0
CG B:MET270 3.6 74.6 1.0
CB B:MET270 3.7 61.0 1.0
CA B:HIS269 3.7 44.7 1.0
CG B:HIS269 3.8 56.2 1.0
C B:HIS269 3.8 44.5 1.0
NE2 B:HIS269 3.8 63.4 1.0
CA B:MET270 3.9 55.0 1.0
ND1 B:HIS269 4.1 64.2 1.0
CE1 B:HIS269 4.2 69.4 1.0
CB B:HIS269 4.4 48.1 1.0
SD B:MET270 4.6 87.6 1.0
O B:PHE268 4.9 43.3 1.0
N B:HIS269 4.9 38.7 1.0
O B:HIS269 5.0 41.3 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: Tue Jul 30 11:32:21 2024

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