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Magnesium in PDB 3rmj: Crystal Structure of Truncated Alpha-Isopropylmalate Synthase From Neisseria Meningitidis

Enzymatic activity of Crystal Structure of Truncated Alpha-Isopropylmalate Synthase From Neisseria Meningitidis

All present enzymatic activity of Crystal Structure of Truncated Alpha-Isopropylmalate Synthase From Neisseria Meningitidis:
2.3.3.13;

Protein crystallography data

The structure of Crystal Structure of Truncated Alpha-Isopropylmalate Synthase From Neisseria Meningitidis, PDB code: 3rmj was solved by F.H.A.Huisman, H.M.Baker, N.Koon, E.N.Baker, E.J.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 21.81 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 46.296, 103.581, 129.937, 90.00, 90.00, 90.00
R / Rfree (%) 15.8 / 19.1

Other elements in 3rmj:

The structure of Crystal Structure of Truncated Alpha-Isopropylmalate Synthase From Neisseria Meningitidis also contains other interesting chemical elements:

Manganese (Mn) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Truncated Alpha-Isopropylmalate Synthase From Neisseria Meningitidis (pdb code 3rmj). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Truncated Alpha-Isopropylmalate Synthase From Neisseria Meningitidis, PDB code: 3rmj:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 3rmj

Go back to Magnesium Binding Sites List in 3rmj
Magnesium binding site 1 out of 2 in the Crystal Structure of Truncated Alpha-Isopropylmalate Synthase From Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Truncated Alpha-Isopropylmalate Synthase From Neisseria Meningitidis within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg366

b:43.8
occ:1.00
O A:HOH492 1.9 26.3 1.0
O A:ILE278 2.0 34.9 1.0
O A:HOH495 2.0 38.0 1.0
O A:HOH491 2.2 32.9 1.0
O A:HOH493 2.3 31.2 1.0
O A:HOH494 2.3 39.3 1.0
C A:ILE278 3.2 33.1 1.0
CA A:THR279 3.9 27.9 1.0
OE2 A:GLU29 4.0 23.0 1.0
N A:THR279 4.0 29.6 1.0
O A:ALA24 4.1 22.0 1.0
OE1 A:GLU29 4.1 21.6 1.0
CA A:ILE278 4.3 32.4 1.0
C A:THR279 4.3 29.9 1.0
CG2 A:ILE278 4.3 31.5 1.0
CD A:GLU29 4.4 22.8 1.0
O A:THR279 4.6 32.1 1.0
O A:GLY22 4.7 24.2 1.0
N A:GLY280 4.9 28.9 1.0
CB A:ILE278 5.0 31.1 1.0

Magnesium binding site 2 out of 2 in 3rmj

Go back to Magnesium Binding Sites List in 3rmj
Magnesium binding site 2 out of 2 in the Crystal Structure of Truncated Alpha-Isopropylmalate Synthase From Neisseria Meningitidis


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Truncated Alpha-Isopropylmalate Synthase From Neisseria Meningitidis within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg366

b:47.6
occ:1.00
O B:HOH482 2.1 34.6 1.0
O B:HOH479 2.1 30.9 1.0
O B:ALA24 2.1 25.2 1.0
O B:HOH483 2.2 35.8 1.0
O B:HOH480 2.2 33.9 1.0
O B:HOH481 2.3 31.9 1.0
C B:ALA24 3.4 24.3 1.0
O B:ILE278 4.1 25.3 1.0
OE1 B:GLU29 4.1 24.7 1.0
O B:GLY22 4.2 24.2 1.0
CA B:MET25 4.2 23.8 1.0
O B:HOH526 4.2 27.2 1.0
N B:MET25 4.2 23.3 1.0
O B:HOH500 4.2 31.9 1.0
O B:HOH524 4.3 31.2 1.0
O B:HOH484 4.3 36.4 1.0
CA B:ALA24 4.4 23.3 1.0
O B:HOH528 4.4 45.9 1.0
N B:ALA24 4.4 21.4 1.0
C B:ALA23 4.5 22.4 1.0
O B:ALA23 4.6 21.9 1.0
CB B:ALA24 4.8 23.9 1.0
CG B:MET25 4.9 23.5 1.0
OE2 B:GLU29 4.9 26.8 1.0
CD B:GLU29 5.0 24.8 1.0

Reference:

F.H.A.Huisman, N.Koon, E.M.M.Bulloch, H.M.Baker, E.N.Baker, C.J.Squire, E.J.Parker. Removal of the C-Terminal Regulatory Domain of Alpha-Isopropylmalate Synthase Disrupts Functional Substrate Binding Biochemistry V. 51 2289 2012.
ISSN: ISSN 0006-2960
PubMed: 22352945
DOI: 10.1021/BI201717J
Page generated: Mon Dec 14 08:45:11 2020

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