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

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

All present enzymatic activity of The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis 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 Complexed with Phenylalanine and Tryptophan, PDB code: 3kgf 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) 32.67 / 2.00
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 204.537, 204.537, 66.462, 90.00, 90.00, 120.00
R / Rfree (%) 16.3 / 19.1

Other elements in 3kgf:

The structure of The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase From Mycobacterium Tuberculosis 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 Complexed with Phenylalanine and Tryptophan (pdb code 3kgf). 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 Phenylalanine and Tryptophan, PDB code: 3kgf:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 3kgf

Go back to Manganese Binding Sites List in 3kgf
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 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 Complexed with Phenylalanine and Tryptophan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn465

b:26.4
occ:0.75
 OE2 A:GLU411 2.0 31.4 1.0
O A:HOH586 2.2 31.8 1.0
OD2 A:ASP441 2.3 36.8 1.0
NE2 A:HIS369 2.4 33.0 1.0
SG A:CYS87 2.5 24.2 1.0
OE1 A:GLU411 2.6 25.2 1.0
CD A:GLU411 2.6 28.1 1.0
CG A:ASP441 3.2 32.4 1.0
CE1 A:HIS369 3.3 32.1 1.0
CD2 A:HIS369 3.5 31.9 1.0
CB A:CYS87 3.5 21.7 1.0
CB A:ASP441 3.5 31.6 1.0
CG A:GLU411 4.1 22.8 1.0
CA A:CYS87 4.1 21.2 1.0
NH2 A:ARG382 4.1 32.9 1.0
NH2 A:ARG126 4.3 21.4 1.0
O A:HOH497 4.3 28.3 1.0
O A:HOH3031 4.3 34.0 1.0
OD1 A:ASP441 4.3 26.3 1.0
O A:HOH520 4.3 41.4 1.0
ND1 A:HIS369 4.5 33.6 1.0
CG A:HIS369 4.6 31.2 1.0
O A:CYS87 4.7 21.1 1.0
C A:CYS87 4.7 20.9 1.0
NH1 A:ARG382 4.7 34.5 1.0
CA A:ASP441 4.7 31.7 1.0
N A:ASP441 4.8 31.6 1.0
CZ A:ARG126 4.9 21.8 1.0
CZ A:ARG382 4.9 34.5 1.0

Manganese binding site 2 out of 2 in 3kgf

Go back to Manganese Binding Sites List in 3kgf
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 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 Complexed with Phenylalanine and Tryptophan within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn466

b:30.1
occ:0.50
 OE2 B:GLU411 2.1 35.7 1.0
NE2 B:HIS369 2.5 31.9 1.0
OD2 B:ASP441 2.5 33.9 1.0
SG B:CYS87 2.7 28.4 1.0
CD B:GLU411 2.8 28.3 1.0
OE1 B:GLU411 2.8 31.3 1.0
CE1 B:HIS369 3.3 34.2 1.0
CG B:ASP441 3.4 32.7 1.0
CD2 B:HIS369 3.6 34.0 1.0
CB B:ASP441 3.6 32.5 1.0
CB B:CYS87 3.7 22.3 1.0
O B:HOH490 4.0 35.4 1.0
NH2 B:ARG126 4.1 19.3 1.0
CG B:GLU411 4.2 23.1 1.0
NH2 B:ARG382 4.3 37.8 1.0
CA B:CYS87 4.3 21.6 1.0
O B:HOH2935 4.5 30.7 1.0
ND1 B:HIS369 4.5 35.5 1.0
OD1 B:ASP441 4.6 33.5 1.0
CG B:HIS369 4.6 30.8 1.0
O B:CYS87 4.7 19.9 1.0
NH1 B:ARG382 4.8 38.7 1.0
C B:CYS87 4.8 20.9 1.0
CA B:ASP441 4.9 33.0 1.0
CZ B:ARG126 4.9 17.7 1.0
N B:ASP441 4.9 33.0 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 16:44:38 2024

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