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Manganese 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:

Chlorine (Cl) 2 atoms

Manganese Binding Sites:

The binding sites of Manganese 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 Manganese atom.
In total 2 binding sites of Manganese 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 Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 3rzi

Go back to Manganese Binding Sites List in 3rzi
Manganese 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 Manganese with other atoms in the Mn 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:Mn463

b:44.3
occ:0.75
 O A:HOH567 1.9 42.7 0.8
OE2 A:GLU411 2.2 27.8 1.0
NE2 A:HIS369 2.3 32.2 1.0
OD2 A:ASP441 2.4 36.5 1.0
SG A:CYS87 2.6 27.4 1.0
OE1 A:GLU411 2.7 25.3 1.0
CD A:GLU411 2.8 26.8 1.0
CG A:ASP441 3.2 30.5 1.0
CE1 A:HIS369 3.2 34.5 1.0
CD2 A:HIS369 3.3 34.0 1.0
CB A:ASP441 3.3 33.3 1.0
CB A:CYS87 3.3 26.0 1.0
NH2 A:ARG382 3.9 39.0 1.0
CA A:CYS87 4.1 26.9 1.0
O A:HOH557 4.2 51.9 1.0
CG A:GLU411 4.2 26.2 1.0
NH2 A:ARG126 4.3 27.6 1.0
OD1 A:ASP441 4.3 35.0 1.0
O A:HOH512 4.3 54.3 1.0
ND1 A:HIS369 4.4 34.3 1.0
CG A:HIS369 4.4 39.1 1.0
NH1 A:ARG382 4.6 36.2 1.0
CA A:ASP441 4.6 30.8 1.0
N A:ASP441 4.7 31.4 1.0
CZ A:ARG382 4.8 37.5 1.0
C A:CYS87 4.8 25.5 1.0
O A:CYS87 4.9 29.5 1.0
CZ A:ARG126 4.9 32.4 1.0

Manganese binding site 2 out of 2 in 3rzi

Go back to Manganese Binding Sites List in 3rzi
Manganese 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 Manganese with other atoms in the Mn 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:Mn463

b:47.5
occ:1.00
 O B:HOH533 2.2 61.4 1.0
OE2 B:GLU411 2.2 38.2 1.0
NE2 B:HIS369 2.3 29.2 1.0
SG B:CYS87 2.5 31.0 1.0
OD2 B:ASP441 2.6 23.3 1.0
OE1 B:GLU411 2.8 22.0 1.0
CD B:GLU411 2.8 28.8 1.0
CE1 B:HIS369 3.2 31.2 1.0
CD2 B:HIS369 3.4 34.2 1.0
CG B:ASP441 3.4 32.7 1.0
CB B:CYS87 3.5 30.9 1.0
CB B:ASP441 3.6 34.0 1.0
O B:HOH549 4.1 48.8 1.0
O B:HOH525 4.1 50.2 1.0
NH2 B:ARG382 4.2 33.9 1.0
NH2 B:ARG126 4.2 25.2 1.0
CA B:CYS87 4.3 27.4 1.0
CG B:GLU411 4.3 24.8 1.0
O B:HOH524 4.3 42.2 0.8
ND1 B:HIS369 4.4 32.1 1.0
CG B:HIS369 4.5 28.0 1.0
OD1 B:ASP441 4.5 41.5 1.0
NH1 B:ARG382 4.8 26.1 1.0
N B:ASP441 4.8 31.3 1.0
CA B:ASP441 4.9 30.9 1.0
C B:CYS87 4.9 27.4 1.0
O B:CYS87 5.0 25.2 1.0
CZ B:ARG382 5.0 26.8 1.0
CZ B:ARG126 5.0 24.3 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: Sat Oct 5 17:52:07 2024

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