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Manganese in PDB 3nv8: The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase in Complex with Phosphoenol Pyruvate and Manganese (Thesit-Free)

Enzymatic activity of The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase in Complex with Phosphoenol Pyruvate and Manganese (Thesit-Free)

All present enzymatic activity of The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase in Complex with Phosphoenol Pyruvate and Manganese (Thesit-Free):
2.5.1.54;

Protein crystallography data

The structure of The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase in Complex with Phosphoenol Pyruvate and Manganese (Thesit-Free), PDB code: 3nv8 was solved by E.J.Parker, G.B.Jameson, W.Jiao, R.H.Hutton, 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) 39.37 / 2.25
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 203.538, 203.538, 66.422, 90.00, 90.00, 120.00
R / Rfree (%) 18 / 20.8

Other elements in 3nv8:

The structure of The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase in Complex with Phosphoenol Pyruvate and Manganese (Thesit-Free) 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 in Complex with Phosphoenol Pyruvate and Manganese (Thesit-Free) (pdb code 3nv8). 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 in Complex with Phosphoenol Pyruvate and Manganese (Thesit-Free), PDB code: 3nv8:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in 3nv8

Go back to Manganese Binding Sites List in 3nv8
Manganese binding site 1 out of 2 in the The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase in Complex with Phosphoenol Pyruvate and Manganese (Thesit-Free)


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 in Complex with Phosphoenol Pyruvate and Manganese (Thesit-Free) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mn464

b:49.0
occ:0.75
 OE2 A:GLU411 1.9 48.5 1.0
OD2 A:ASP441 2.2 43.4 1.0
NE2 A:HIS369 2.4 45.5 1.0
SG A:CYS87 2.6 33.5 1.0
CD A:GLU411 2.7 44.6 1.0
OE1 A:GLU411 2.9 48.0 1.0
CG A:ASP441 3.2 47.9 1.0
CE1 A:HIS369 3.3 46.2 1.0
CD2 A:HIS369 3.4 45.8 1.0
CB A:ASP441 3.4 47.0 1.0
CB A:CYS87 3.7 26.8 1.0
O1 A:PEP467 3.7 64.9 1.0
O A:HOH601 4.0 42.8 1.0
CG A:GLU411 4.1 38.3 1.0
NH1 A:ARG382 4.2 49.2 1.0
CA A:CYS87 4.2 26.8 1.0
OD1 A:ASP441 4.3 43.9 1.0
NH2 A:ARG126 4.4 31.1 1.0
ND1 A:HIS369 4.4 47.6 1.0
CG A:HIS369 4.5 46.1 1.0
C1 A:PEP467 4.6 62.4 1.0
O A:CYS87 4.7 26.3 1.0
CA A:ASP441 4.7 47.7 1.0
C A:CYS87 4.8 25.7 1.0
N A:ASP441 4.8 47.5 1.0
NH2 A:ARG382 4.9 50.5 1.0

Manganese binding site 2 out of 2 in 3nv8

Go back to Manganese Binding Sites List in 3nv8
Manganese binding site 2 out of 2 in the The Structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase in Complex with Phosphoenol Pyruvate and Manganese (Thesit-Free)


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 in Complex with Phosphoenol Pyruvate and Manganese (Thesit-Free) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mn465

b:42.9
occ:0.50
 OD2 B:ASP441 2.0 53.6 1.0
OE2 B:GLU411 2.2 49.6 1.0
NE2 B:HIS369 2.5 42.3 1.0
OE1 B:GLU411 2.5 45.1 1.0
SG B:CYS87 2.6 37.4 1.0
CD B:GLU411 2.7 44.2 1.0
CG B:ASP441 3.0 54.3 1.0
CE1 B:HIS369 3.0 45.8 1.0
CB B:ASP441 3.4 54.3 1.0
CD2 B:HIS369 3.6 45.8 1.0
CB B:CYS87 3.7 31.3 1.0
OD1 B:ASP441 4.1 52.0 1.0
CG B:GLU411 4.2 40.0 1.0
NH2 B:ARG126 4.2 33.0 1.0
ND1 B:HIS369 4.2 46.9 1.0
CA B:CYS87 4.3 29.8 1.0
NH2 B:ARG382 4.3 54.9 1.0
CG B:HIS369 4.6 45.5 1.0
NH1 B:ARG382 4.6 51.6 1.0
CA B:ASP441 4.7 55.2 1.0
N B:ASP441 4.8 55.4 1.0
C B:CYS87 5.0 29.5 1.0
O B:CYS87 5.0 29.6 1.0
CZ B:ARG382 5.0 54.2 1.0
CZ B:ARG126 5.0 29.8 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: Tue Dec 15 04:13:12 2020

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