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Magnesium in PDB 5c9u: Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid:
2.3.3.9;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid, PDB code: 5c9u was solved by H.-L.Huang, J.C.Sacchettini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.68 / 1.95
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 78.740, 78.740, 224.655, 90.00, 90.00, 90.00
R / Rfree (%) 18.2 / 23.6

Other elements in 5c9u:

The structure of Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid (pdb code 5c9u). 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 Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid, PDB code: 5c9u:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 5c9u

Go back to Magnesium Binding Sites List in 5c9u
Magnesium binding site 1 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid


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 Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg801

b:26.1
occ:1.00
 OE2 A:GLU434 2.0 22.5 1.0
OD2 A:ASP462 2.1 26.8 1.0
O A:HOH949 2.1 24.5 1.0
O A:HOH1026 2.2 22.6 1.0
O01 A:4Z1803 2.2 27.3 1.0
O05 A:4Z1803 2.3 28.4 1.0
C04 A:4Z1803 2.9 38.4 1.0
CD A:GLU434 3.0 23.8 1.0
C02 A:4Z1803 3.0 35.7 1.0
CG A:ASP462 3.1 26.7 1.0
OE1 A:GLU434 3.3 24.7 1.0
CB A:ASP462 3.5 24.3 1.0
NH1 A:ARG339 4.0 30.6 1.0
NZ A:LYS399 4.0 25.2 1.0
OD2 A:ASP274 4.1 30.3 1.0
N06 A:4Z1803 4.1 42.0 1.0
OD1 A:ASP462 4.2 26.5 1.0
O03 A:4Z1803 4.3 29.6 1.0
CG A:GLU434 4.3 23.6 1.0
OD2 A:ASP633 4.4 41.0 1.0
CB A:ALA635 4.5 24.9 1.0
OE1 A:GLU273 4.5 25.6 1.0
N A:ASP462 4.6 22.9 1.0
CA A:ASP462 4.6 22.8 1.0
CB A:GLU434 4.6 25.4 1.0
CE A:MET432 4.9 24.7 1.0
CZ A:ARG339 4.9 25.9 1.0
CG A:ASP274 4.9 29.6 1.0

Magnesium binding site 2 out of 2 in 5c9u

Go back to Magnesium Binding Sites List in 5c9u
Magnesium binding site 2 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid


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 Mycobacterium Tuberculosis Malate Synthase in Complex with 2-(2-(2,4-Dichlorophenyl)Hydrazinyl)-2-Oxoacetic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg802

b:43.6
occ:1.00
 O A:HOH1126 2.2 44.6 1.0
O A:HOH930 2.3 42.1 1.0
NE2 A:HIS235 2.3 32.5 1.0
O A:HOH1490 2.3 46.7 1.0
CD2 A:HIS235 3.3 32.8 1.0
CE1 A:HIS235 3.3 32.1 1.0
O A:HOH972 4.1 45.1 1.0
O A:HOH1188 4.2 49.0 1.0
OD2 A:ASP559 4.3 35.4 1.0
ND1 A:HIS235 4.4 28.4 1.0
CG A:HIS235 4.4 27.9 1.0
OD1 A:ASN234 4.5 31.4 1.0
CB A:ASP559 4.6 33.3 1.0
CG A:ASP559 4.7 36.5 1.0

Reference:

H.L.Huang, I.V.Krieger, M.K.Parai, V.B.Gawandi, J.C.Sacchettini. Mycobacterium Tuberculosis Malate Synthase Structures with Fragments Reveal A Portal For Substrate/Product Exchange. J. Biol. Chem. V. 291 27421 2016.
ISSN: ESSN 1083-351X
PubMed: 27738104
DOI: 10.1074/JBC.M116.750877
Page generated: Sun Sep 29 02:00:03 2024

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