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Magnesium in PDB 6yx3: Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Atp

Enzymatic activity of Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Atp

All present enzymatic activity of Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Atp:
6.3.2.6;

Protein crystallography data

The structure of Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Atp, PDB code: 6yx3 was solved by S.E.Thomas, S.Charoensutthivarakul, A.G.Coyne, C.Abell, T.L.Blundell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.17 / 1.22
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.758, 64.114, 49.013, 90, 111.48, 90
R / Rfree (%) 16.1 / 17.9

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Atp (pdb code 6yx3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Atp, PDB code: 6yx3:

Magnesium binding site 1 out of 1 in 6yx3

Go back to Magnesium Binding Sites List in 6yx3
Magnesium binding site 1 out of 1 in the Crystal Structure of Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Atp


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 Saicar Synthetase (Purc) From Mycobacterium Abscessus in Complex with Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg304

b:26.5
occ:1.00
 O3G A:ATP305 2.8 55.3 1.0
O2A A:ATP305 2.9 27.1 1.0
N A:ARG17 2.9 14.7 1.0
N A:VAL16 3.0 20.2 1.0
N A:LYS15 3.2 25.0 1.0
O3B A:ATP305 3.2 52.3 1.0
C A:GLY14 3.4 25.1 1.0
CB A:ARG17 3.6 13.4 1.0
CZ A:ARG17 3.6 15.1 1.0
CG2 A:VAL16 3.6 23.9 1.0
NH2 A:ARG17 3.7 20.7 1.0
PG A:ATP305 3.7 54.7 1.0
CA A:GLY14 3.7 28.1 1.0
C A:VAL16 3.7 15.5 1.0
CA A:ARG17 3.7 14.3 1.0
CA A:VAL16 3.8 24.6 1.0
PA A:ATP305 3.9 27.1 1.0
C A:LYS15 3.9 47.6 1.0
NE A:ARG17 3.9 15.6 1.0
NH1 A:ARG17 3.9 18.2 1.0
CA A:LYS15 4.0 36.0 1.0
N A:GLY14 4.0 30.4 1.0
CG A:ARG17 4.0 16.0 1.0
O A:GLY14 4.1 26.7 1.0
O A:ARG17 4.1 16.6 1.0
O1A A:ATP305 4.1 26.4 1.0
CB A:VAL16 4.3 25.6 1.0
C A:ARG17 4.3 14.9 1.0
CB A:LYS15 4.5 36.3 1.0
O3A A:ATP305 4.5 34.1 1.0
O2G A:ATP305 4.5 56.2 1.0
PB A:ATP305 4.5 41.9 1.0
CD A:ARG17 4.6 16.2 1.0
O A:VAL16 4.8 18.1 1.0
O1G A:ATP305 4.8 55.8 1.0
O1B A:ATP305 4.9 42.2 1.0

Reference:

S.E.Thomas, S.Charoensutthivarakul, A.G.Coyne, C.Abell, T.L.Blundell. Fragment-Based Design and Discovery of Novel Inhibitors Targeting Mycobacterium Abscessus Saicar Synthetase (Purc) To Be Published.
Page generated: Wed Oct 2 01:12:54 2024

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