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Nickel in PDB 4bo0: Crystal Structure of 3-Oxoacyl-(Acyl-Carrier-Protein) Reductase (Fabg) From Pseudomonas Aeruginosa in Complex with 1-(4-Methoxy-1-Methylindazol-3-Yl)-3-(2-Methoxyphenyl) Urea at 2.4A Resolution

Enzymatic activity of Crystal Structure of 3-Oxoacyl-(Acyl-Carrier-Protein) Reductase (Fabg) From Pseudomonas Aeruginosa in Complex with 1-(4-Methoxy-1-Methylindazol-3-Yl)-3-(2-Methoxyphenyl) Urea at 2.4A Resolution

All present enzymatic activity of Crystal Structure of 3-Oxoacyl-(Acyl-Carrier-Protein) Reductase (Fabg) From Pseudomonas Aeruginosa in Complex with 1-(4-Methoxy-1-Methylindazol-3-Yl)-3-(2-Methoxyphenyl) Urea at 2.4A Resolution:
1.1.1.100;

Protein crystallography data

The structure of Crystal Structure of 3-Oxoacyl-(Acyl-Carrier-Protein) Reductase (Fabg) From Pseudomonas Aeruginosa in Complex with 1-(4-Methoxy-1-Methylindazol-3-Yl)-3-(2-Methoxyphenyl) Urea at 2.4A Resolution, PDB code: 4bo0 was solved by C.D.Cukier, R.Schnell, Y.Lindqvist, G.Schneider, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.72 / 2.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 55.323, 108.730, 148.639, 90.00, 90.00, 90.00
R / Rfree (%) 25.506 / 29.653

Nickel Binding Sites:

The binding sites of Nickel atom in the Crystal Structure of 3-Oxoacyl-(Acyl-Carrier-Protein) Reductase (Fabg) From Pseudomonas Aeruginosa in Complex with 1-(4-Methoxy-1-Methylindazol-3-Yl)-3-(2-Methoxyphenyl) Urea at 2.4A Resolution (pdb code 4bo0). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Crystal Structure of 3-Oxoacyl-(Acyl-Carrier-Protein) Reductase (Fabg) From Pseudomonas Aeruginosa in Complex with 1-(4-Methoxy-1-Methylindazol-3-Yl)-3-(2-Methoxyphenyl) Urea at 2.4A Resolution, PDB code: 4bo0:

Nickel binding site 1 out of 1 in 4bo0

Go back to Nickel Binding Sites List in 4bo0
Nickel binding site 1 out of 1 in the Crystal Structure of 3-Oxoacyl-(Acyl-Carrier-Protein) Reductase (Fabg) From Pseudomonas Aeruginosa in Complex with 1-(4-Methoxy-1-Methylindazol-3-Yl)-3-(2-Methoxyphenyl) Urea at 2.4A Resolution


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of 3-Oxoacyl-(Acyl-Carrier-Protein) Reductase (Fabg) From Pseudomonas Aeruginosa in Complex with 1-(4-Methoxy-1-Methylindazol-3-Yl)-3-(2-Methoxyphenyl) Urea at 2.4A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Ni1248

b:86.3
occ:1.00
 NE2 B:HIS79 2.7 79.0 1.0
CE1 B:HIS79 3.3 78.0 1.0
CD2 B:HIS79 3.4 79.3 1.0
NE2 B:HIS75 3.6 67.5 1.0
CD2 B:HIS75 4.0 68.4 1.0
ND1 B:HIS79 4.2 78.4 1.0
CG B:HIS79 4.2 77.3 1.0
CE1 B:HIS75 4.3 69.0 1.0
CG B:HIS75 4.8 70.6 1.0
ND1 B:HIS75 4.9 71.1 1.0

Reference:

C.D.Cukier, A.Hope, A.Elamin, L.Moynie, R.Schnell, S.Schach, H.Kneuper, M.Singh, J.Naismith, Y.Lindqvist, D.Gray, G.Schneider. Discovery of An Allosteric Inhibitor Binding Site in 3-Oxo-Acyl-Acp Reductase From Pseudomonas Aeruginosa Acs Chem.Biol. V. 8 2518 2013.
ISSN: ISSN 1554-8929
PubMed: 24015914
DOI: 10.1021/CB4005063
Page generated: Wed Oct 9 18:02:01 2024

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