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Chlorine in PDB 4w1v: Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with A Thiazole Inhibitor

Enzymatic activity of Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with A Thiazole Inhibitor

All present enzymatic activity of Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with A Thiazole Inhibitor:
2.6.1.62;

Protein crystallography data

The structure of Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with A Thiazole Inhibitor, PDB code: 4w1v was solved by B.C.Finzel, R.Dai, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 102.12 / 2.24
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 63.039, 66.237, 204.239, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 21

Other elements in 4w1v:

The structure of Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with A Thiazole Inhibitor also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with A Thiazole Inhibitor (pdb code 4w1v). 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 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with A Thiazole Inhibitor, PDB code: 4w1v:

Chlorine binding site 1 out of 1 in 4w1v

Go back to Chlorine Binding Sites List in 4w1v
Chlorine binding site 1 out of 1 in the Crystal Structure of 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with A Thiazole Inhibitor


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 7,8-Diaminopelargonic Acid Synthase (Bioa) From Mycobacterium Tuberculosis, Complexed with A Thiazole Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl504

b:55.5
occ:1.00
 CE2 B:TRP45 3.9 17.7 1.0
NE1 B:TRP45 4.0 17.9 1.0
CD2 B:TRP45 4.1 17.4 1.0
CZ2 B:TRP45 4.2 17.3 1.0
CD1 B:TRP45 4.3 17.6 1.0
OE1 B:GLU56 4.3 26.5 1.0
CG B:TRP45 4.4 18.1 1.0
OE2 B:GLU56 4.5 25.5 1.0
CD B:GLU56 4.6 24.2 1.0
CE3 B:TRP45 4.6 17.2 1.0
CH2 B:TRP45 4.7 17.7 1.0
CZ3 B:TRP45 4.9 17.7 1.0

Reference:

S.W.Park, D.E.Casalena, D.J.Wilson, R.Dai, P.P.Nag, F.Liu, J.P.Boyce, J.A.Bittker, S.L.Schreiber, B.C.Finzel, D.Schnappinger, C.C.Aldrich. Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium Tuberculosis. Chem.Biol. V. 22 76 2015.
ISSN: ISSN 1074-5521
PubMed: 25556942
DOI: 10.1016/J.CHEMBIOL.2014.11.012
Page generated: Fri Jul 11 22:21:30 2025

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