Arsenic in PDB 4hg5: Structural Insights Into Yeast NIT2: Wild-Type Yeast NIT2 in Complex with Oxaloacetate

The structure of Structural Insights Into Yeast NIT2: Wild-Type Yeast NIT2 in Complex with Oxaloacetate, PDB code: 4hg5 was solved by H.Liu, X.Qiu, M.Zhang, Y.Gao, L.Niu, M.Teng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.75 / 1.91
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.498, 125.840, 77.879, 90.00, 95.41, 90.00
R / Rfree (%)	20 / 22.9

The binding sites of Arsenic atom in the Structural Insights Into Yeast NIT2: Wild-Type Yeast NIT2 in Complex with Oxaloacetate (pdb code 4hg5). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Structural Insights Into Yeast NIT2: Wild-Type Yeast NIT2 in Complex with Oxaloacetate, PDB code: 4hg5:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Structural Insights Into Yeast NIT2: Wild-Type Yeast NIT2 in Complex with Oxaloacetate


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Structural Insights Into Yeast NIT2: Wild-Type Yeast NIT2 in Complex with Oxaloacetate within 5.0Å range: probe atom residue distance (Å) B Occ A:As404 b:34.5 occ:0.70 AS A:CAC404 0.0 34.5 0.7 O1 A:CAC404 1.7 30.8 0.7 O2 A:CAC404 1.7 31.5 0.7 C2 A:CAC404 2.0 32.3 0.7 C1 A:CAC404 2.0 31.7 0.7 O B:HOH597 3.7 40.5 1.0 OE2 B:GLU124 4.2 30.5 1.0 NE2 A:HIS240 4.3 31.9 1.0 CD2 B:LEU94 4.4 23.3 1.0 CD1 B:ILE68 4.8 24.5 1.0 CD1 B:ILE121 4.8 25.2 1.0 CG2 B:ILE68 4.8 24.6 1.0 CD2 A:HIS240 4.9 31.1 1.0 CB B:PRO65 5.0 22.9 1.0

Arsenic binding site 2 out of 2 in the Structural Insights Into Yeast NIT2: Wild-Type Yeast NIT2 in Complex with Oxaloacetate


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Structural Insights Into Yeast NIT2: Wild-Type Yeast NIT2 in Complex with Oxaloacetate within 5.0Å range: probe atom residue distance (Å) B Occ A:As405 b:32.2 occ:0.60 AS A:CAC405 0.0 32.2 0.6 O1 A:CAC405 1.7 29.2 0.6 O2 A:CAC405 1.7 29.4 0.6 C1 A:CAC405 2.0 30.1 0.6 C2 A:CAC405 2.0 30.5 0.6 OE2 A:GLU124 3.7 28.2 1.0 O A:HOH537 4.0 37.2 1.0 CD2 A:LEU94 4.4 22.1 1.0 CD1 A:LEU94 4.6 23.2 1.0 CD A:GLU124 4.8 26.3 1.0 CD1 A:ILE121 4.8 23.2 1.0

H.Liu, Y.Gao, M.Zhang, X.Qiu, A.J.L.Cooper, L.Niu, M.Teng. Structures of Enzyme-Intermediate Complexes of Yeast NIT2: Insights Into Its Catalytic Mechanism and Different Substrate Specificity Compared with Mammalian NIT2 Acta Crystallogr.,Sect.D V. 69 1470 2013.
ISSN: ISSN 0907-4449
PubMed: 23897470
DOI: 10.1107/S0907444913009347