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Chlorine in PDB 3mqd: Crystal Structure of Beta-Ketoacyl Synthase From Brucella Melitensis with Fol 0758, (1-Methyl-1H-Indazol-3-Yl) Methanol

Enzymatic activity of Crystal Structure of Beta-Ketoacyl Synthase From Brucella Melitensis with Fol 0758, (1-Methyl-1H-Indazol-3-Yl) Methanol

All present enzymatic activity of Crystal Structure of Beta-Ketoacyl Synthase From Brucella Melitensis with Fol 0758, (1-Methyl-1H-Indazol-3-Yl) Methanol:
2.3.1.4;

Protein crystallography data

The structure of Crystal Structure of Beta-Ketoacyl Synthase From Brucella Melitensis with Fol 0758, (1-Methyl-1H-Indazol-3-Yl) Methanol, PDB code: 3mqd was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.81 / 1.25
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 78.070, 83.620, 73.640, 90.00, 121.37, 90.00
R / Rfree (%) 11.2 / 13.3

Other elements in 3mqd:

The structure of Crystal Structure of Beta-Ketoacyl Synthase From Brucella Melitensis with Fol 0758, (1-Methyl-1H-Indazol-3-Yl) Methanol also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Beta-Ketoacyl Synthase From Brucella Melitensis with Fol 0758, (1-Methyl-1H-Indazol-3-Yl) Methanol (pdb code 3mqd). 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 Beta-Ketoacyl Synthase From Brucella Melitensis with Fol 0758, (1-Methyl-1H-Indazol-3-Yl) Methanol, PDB code: 3mqd:

Chlorine binding site 1 out of 1 in 3mqd

Go back to Chlorine Binding Sites List in 3mqd
Chlorine binding site 1 out of 1 in the Crystal Structure of Beta-Ketoacyl Synthase From Brucella Melitensis with Fol 0758, (1-Methyl-1H-Indazol-3-Yl) Methanol


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 Beta-Ketoacyl Synthase From Brucella Melitensis with Fol 0758, (1-Methyl-1H-Indazol-3-Yl) Methanol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:28.6
occ:1.00
O A:HOH476 3.0 38.2 1.0
N A:MET267 3.4 8.7 1.0
CB A:MET267 3.7 8.2 1.0
OD1 A:ASP266 3.8 20.7 1.0
CA A:ASP266 4.1 9.1 1.0
CA A:MET267 4.2 8.1 1.0
C A:ASP266 4.2 8.1 1.0
CG A:ASP266 4.4 13.6 1.0
O A:TYR265 4.6 11.3 1.0
CB A:ASP266 4.9 11.3 1.0
OD2 A:ASP266 4.9 15.3 1.0

Reference:

E.I.Patterson, J.D.Nanson, J.Abendroth, C.Bryan, B.Sankaran, P.J.Myler, J.K.Forwood. Structural Characterization of Beta-Ketoacyl Acp Synthase I Bound to Platencin and Fragment Screening Molecules at Two Substrate Binding Sites. Proteins 2019.
ISSN: ESSN 1097-0134
PubMed: 31237717
DOI: 10.1002/PROT.25765
Page generated: Sat Dec 12 09:55:30 2020

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