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Manganese in PDB 3nue: The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis Complexed with Tryptophan

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

All present enzymatic activity of The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis Complexed with 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 Complexed with Tryptophan, PDB code: 3nue was solved by E.J.Parker, G.B.Jameson, W.Jiao, C.J.Webby, E.N.Baker, H.M.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.69 / 2.50
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 204.712, 204.712, 66.264, 90.00, 90.00, 120.00
R / Rfree (%) 18.9 / 22.8

Other elements in 3nue:

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

Chlorine (Cl) 1 atom

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 Complexed with Tryptophan (pdb code 3nue). 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 Complexed with Tryptophan, PDB code: 3nue:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 3nue

Go back to Manganese Binding Sites List in 3nue
Manganese binding site 1 out of 2 in the The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis Complexed with 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 Complexed with Tryptophan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn463

b:48.7
occ:0.75
 OE1 A:GLU411 2.0 50.0 1.0
OD2 A:ASP441 2.7 64.5 1.0
NE2 A:HIS369 2.8 51.8 1.0
SG A:CYS87 2.8 38.6 1.0
CD A:GLU411 2.8 45.5 1.0
OE2 A:GLU411 3.0 48.2 1.0
CD2 A:HIS369 3.2 49.5 1.0
O A:HOH9025 3.5 36.1 1.0
CG A:ASP441 3.7 63.2 1.0
CB A:CYS87 3.9 29.3 1.0
CE1 A:HIS369 4.0 45.8 1.0
O A:HOH9022 4.1 27.1 1.0
CB A:ASP441 4.2 60.3 1.0
SG A:CYS440 4.2 58.0 1.0
CG A:GLU411 4.3 40.0 1.0
NH2 A:ARG126 4.3 18.9 1.0
NH2 A:ARG382 4.3 68.8 1.0
CA A:CYS87 4.4 26.6 1.0
CG A:HIS369 4.5 47.9 1.0
O A:CYS87 4.6 26.2 1.0
OD1 A:ASP441 4.7 68.2 1.0
C A:CYS87 4.9 25.4 1.0
ND1 A:HIS369 4.9 46.2 1.0
NH1 A:ARG382 4.9 65.4 1.0
CZ A:ARG126 4.9 22.8 1.0
NH1 A:ARG126 5.0 26.2 1.0

Manganese binding site 2 out of 2 in 3nue

Go back to Manganese Binding Sites List in 3nue
Manganese binding site 2 out of 2 in the The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis Complexed with 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 Complexed with Tryptophan within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn466

b:55.9
occ:0.75
 OE1 B:GLU411 2.1 47.7 1.0
NE2 B:HIS369 2.8 47.8 1.0
CD B:GLU411 2.9 43.0 1.0
OD2 B:ASP441 2.9 51.2 1.0
CD2 B:HIS369 3.0 47.1 1.0
OE2 B:GLU411 3.0 45.8 1.0
SG B:CYS87 3.1 36.4 1.0
CG B:ASP441 3.9 53.3 1.0
NH2 B:ARG382 4.1 65.6 1.0
CE1 B:HIS369 4.1 40.4 1.0
O B:HOH9036 4.2 29.8 1.0
CG B:HIS369 4.3 44.2 1.0
CG B:GLU411 4.3 38.6 1.0
CB B:CYS87 4.4 28.2 1.0
CB B:ASP441 4.4 55.1 1.0
NH2 B:ARG126 4.5 20.7 1.0
NH1 B:ARG382 4.7 62.7 1.0
SG B:CYS440 4.8 54.2 1.0
OD1 B:ASP441 4.8 53.0 1.0
ND1 B:HIS369 4.8 42.4 1.0
CA B:CYS87 4.9 25.2 1.0
CZ B:ARG382 4.9 65.0 1.0
O4 B:PO4463 5.0 26.5 1.0

Reference:

C.J.Webby, W.Jiao, R.D.Hutton, N.J.Blackmore, H.M.Baker, E.N.Baker, G.B.Jameson, E.J.Parker. Synergistic Allostery, A Sophisticated Regulatory Network For the Control of Aromatic Amino Acid Biosynthesis in Mycobacterium Tuberculosis J.Biol.Chem. V. 285 30567 2010.
ISSN: ISSN 0021-9258
PubMed: 20667835
DOI: 10.1074/JBC.M110.111856
Page generated: Sat Oct 5 17:20:58 2024

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