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Chlorine in PDB 3pfp: Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with An Active Site Inhibitor

Enzymatic activity of Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with An Active Site Inhibitor

All present enzymatic activity of Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with An Active Site Inhibitor:
2.5.1.54;

Protein crystallography data

The structure of Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with An Active Site Inhibitor, PDB code: 3pfp was solved by S.Reichau, W.Jiao, S.R.Walker, R.D.Hutton, E.J.Parker, E.N.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.90 / 2.35
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 203.579, 203.579, 66.490, 90.00, 90.00, 120.00
R / Rfree (%) 16.2 / 19.6

Other elements in 3pfp:

The structure of Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with An Active Site Inhibitor also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with An Active Site Inhibitor (pdb code 3pfp). 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 Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with An Active Site Inhibitor, PDB code: 3pfp:

Chlorine binding site 1 out of 1 in 3pfp

Go back to Chlorine Binding Sites List in 3pfp
Chlorine binding site 1 out of 1 in the Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with An Active Site Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis in Complex with An Active Site Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl464

b:40.6
occ:1.00
NH1 B:ARG435 3.5 42.0 1.0
N B:ASN416 3.7 28.0 1.0
CB B:ASN416 4.1 29.6 1.0
CA B:GLU415 4.3 27.7 1.0
CZ B:ARG435 4.5 41.0 1.0
CA B:ASN416 4.5 28.2 1.0
C B:GLU415 4.5 27.0 1.0
NH2 B:ARG435 4.6 40.2 1.0
CG B:GLU415 4.7 34.6 1.0
CB B:GLU415 4.7 28.3 1.0

Reference:

S.Reichau, W.Jiao, S.R.Walker, R.D.Hutton, E.N.Baker, E.J.Parker. Potent Inhibitors of A Shikimate Pathway Enzyme From Mycobacterium Tuberculosis: Combining Mechanism- and Modeling-Based Design J.Biol.Chem. V. 286 16197 2011.
ISSN: ISSN 0021-9258
PubMed: 21454647
DOI: 10.1074/JBC.M110.211649
Page generated: Sat Dec 12 10:02:23 2020

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