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Chlorine in PDB 3rzi: The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis Cocrystallized and Complexed with Phenylalanine and Tryptophan

Enzymatic activity of The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis Cocrystallized and Complexed with Phenylalanine and Tryptophan

All present enzymatic activity of The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis Cocrystallized and Complexed with Phenylalanine and Tryptophan:
2.5.1.54;

Protein crystallography data

The structure of The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis Cocrystallized and Complexed with Phenylalanine and Tryptophan, PDB code: 3rzi was solved by W.Jiao, G.B.Jameson, R.D.Hutton, E.J.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 31.88 / 1.95
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 207.560, 207.560, 66.977, 90.00, 90.00, 120.00
R / Rfree (%) 15.3 / 16.8

Other elements in 3rzi:

The structure of The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis Cocrystallized and Complexed with Phenylalanine and Tryptophan also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis Cocrystallized and Complexed with Phenylalanine and Tryptophan (pdb code 3rzi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis Cocrystallized and Complexed with Phenylalanine and Tryptophan, PDB code: 3rzi:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 3rzi

Go back to Chlorine Binding Sites List in 3rzi
Chlorine binding site 1 out of 2 in the The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis Cocrystallized and Complexed with Phenylalanine and Tryptophan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis Cocrystallized and Complexed with Phenylalanine and Tryptophan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl470

b:88.4
occ:1.00
N A:GLN36 3.7 27.7 1.0
O A:HOH639 4.0 43.5 1.0
CA A:ALA35 4.3 29.1 1.0
CA A:GLN36 4.5 28.9 1.0
C A:ALA35 4.5 29.9 1.0
CB A:ALA35 4.6 28.5 1.0

Chlorine binding site 2 out of 2 in 3rzi

Go back to Chlorine Binding Sites List in 3rzi
Chlorine binding site 2 out of 2 in the The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis Cocrystallized and Complexed with Phenylalanine and Tryptophan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis Cocrystallized and Complexed with Phenylalanine and Tryptophan within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl471

b:92.9
occ:1.00
O B:HOH614 3.6 55.2 1.0
NH1 B:ARG49 3.8 45.8 1.0
NH1 B:ARG256 3.8 45.2 1.0
NH2 B:ARG256 4.2 41.5 1.0
CZ B:ARG256 4.4 38.5 1.0
NH2 B:ARG49 4.5 46.2 1.0
CZ B:ARG49 4.5 42.9 1.0

Reference:

W.Jiao, R.D.Hutton, P.J.Cross, G.B.Jameson, E.J.Parker. Dynamic Cross-Talk Among Remote Binding Sites: the Molecular Basis For Unusual Synergistic Allostery. J.Mol.Biol. V. 415 716 2012.
ISSN: ISSN 0022-2836
PubMed: 22154807
DOI: 10.1016/J.JMB.2011.11.037
Page generated: Sun Jul 21 04:04:27 2024

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