Arsenic in PDB 4h5u: Structural Insights Into Yeast NIT2: Wild-Type Yeast NIT2

The structure of Structural Insights Into Yeast NIT2: Wild-Type Yeast NIT2, PDB code: 4h5u 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)	48.00 / 1.92
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.262, 125.665, 77.674, 90.00, 95.23, 90.00
R / Rfree (%)	17.1 / 20.2

The binding sites of Arsenic atom in the Structural Insights Into Yeast NIT2: Wild-Type Yeast NIT2 (pdb code 4h5u). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 5 binding sites of Arsenic where determined in the Structural Insights Into Yeast NIT2: Wild-Type Yeast NIT2, PDB code: 4h5u:
Jump to Arsenic binding site number: 1; 2; 3; 4; 5;

Arsenic binding site 1 out of 5 in the Structural Insights Into Yeast NIT2: Wild-Type Yeast NIT2


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:As169 b:20.0 occ:0.80 AS A:CAF169 0.0 20.0 0.8 O1 A:CAF169 1.6 20.0 0.8 CE2 A:CAF169 1.6 20.0 0.8 CE1 A:CAF169 1.6 20.0 0.8 SG A:CAF169 2.1 20.0 1.0 CB A:CAF169 3.1 20.0 1.0 O A:ALA194 3.7 12.0 1.0 N A:TYR170 3.7 7.2 1.0 OE1 A:GLU45 3.7 12.9 1.0 NZ A:LYS127 3.9 8.4 1.0 C A:CAF169 4.2 20.0 1.0 CA A:CAF169 4.2 20.0 1.0 CG A:PHE131 4.3 12.0 1.0 CB A:PHE131 4.3 10.8 1.0 C A:ALA194 4.5 11.4 1.0 CB A:TYR170 4.5 7.0 1.0 CD1 A:PHE131 4.5 13.2 1.0 OE2 A:GLU45 4.5 12.2 1.0 CD A:GLU45 4.6 11.6 1.0 CA A:TYR170 4.6 7.1 1.0 N A:ALA194 4.7 9.8 1.0 CD2 A:PHE131 4.7 13.4 1.0 O A:HOH556 4.8 16.0 1.0 CE A:LYS127 4.9 6.5 1.0 CD1 A:PHE195 5.0 12.4 1.0

Arsenic binding site 2 out of 5 in the Structural Insights Into Yeast NIT2: Wild-Type Yeast NIT2


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:As169 b:20.0 occ:0.80 AS B:CAF169 0.0 20.0 0.8 O1 B:CAF169 1.6 20.0 0.8 CE1 B:CAF169 1.6 20.0 0.8 CE2 B:CAF169 1.6 20.0 0.8 SG B:CAF169 2.2 20.0 1.0 CB B:CAF169 3.2 20.0 1.0 O B:ALA194 3.6 13.0 1.0 OE1 B:GLU45 3.8 12.3 1.0 N B:TYR170 3.9 8.0 1.0 NZ B:LYS127 3.9 12.2 1.0 CG B:PHE131 4.2 14.5 1.0 CB B:PHE131 4.3 13.2 1.0 C B:ALA194 4.4 12.5 1.0 CD1 B:PHE131 4.4 15.5 1.0 C B:CAF169 4.4 20.0 1.0 CA B:CAF169 4.4 20.0 1.0 CB B:TYR170 4.5 8.0 1.0 OE2 B:GLU45 4.5 12.1 1.0 CD B:GLU45 4.6 11.2 1.0 CD2 B:PHE131 4.6 15.6 1.0 N B:ALA194 4.7 11.1 1.0 O B:HOH615 4.8 23.0 1.0 CA B:TYR170 4.8 7.6 1.0 CE B:LYS127 4.9 10.6 1.0 CE1 B:PHE131 5.0 16.2 1.0

Arsenic binding site 3 out of 5 in the Structural Insights Into Yeast NIT2: Wild-Type Yeast NIT2


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Structural Insights Into Yeast NIT2: Wild-Type Yeast NIT2 within 5.0Å range: probe atom residue distance (Å) B Occ C:As169 b:20.0 occ:0.80 AS C:CAF169 0.0 20.0 0.8 O1 C:CAF169 1.7 20.0 0.8 CE1 C:CAF169 1.8 20.0 0.8 CE2 C:CAF169 1.8 20.0 0.8 SG C:CAF169 2.2 20.0 1.0 CB C:CAF169 3.1 20.0 1.0 N C:TYR170 3.4 7.9 1.0 O C:ALA194 4.0 13.3 1.0 OE1 C:GLU45 4.0 12.6 1.0 C C:CAF169 4.0 20.0 1.0 NZ C:LYS127 4.1 14.8 1.0 CA C:CAF169 4.2 20.0 1.0 CG C:PHE131 4.3 18.3 1.0 CA C:TYR170 4.3 7.7 1.0 CB C:TYR170 4.3 8.2 1.0 CD1 C:PHE131 4.4 19.4 1.0 CB C:PHE131 4.4 17.4 1.0 C C:ALA194 4.7 13.1 1.0 OE2 C:GLU45 4.7 11.5 1.0 O C:HOH613 4.8 21.9 1.0 CD2 C:PHE131 4.8 19.8 1.0 CD C:GLU45 4.8 11.9 1.0 CD1 C:PHE195 4.8 14.2 1.0 CE1 C:PHE131 4.9 19.7 1.0 N C:ALA194 4.9 11.8 1.0

Arsenic binding site 4 out of 5 in the Structural Insights Into Yeast NIT2: Wild-Type Yeast NIT2


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Structural Insights Into Yeast NIT2: Wild-Type Yeast NIT2 within 5.0Å range: probe atom residue distance (Å) B Occ D:As169 b:20.0 occ:0.80 AS D:CAF169 0.0 20.0 0.8 O1 D:CAF169 1.7 20.0 0.8 CE1 D:CAF169 1.8 20.0 0.8 CE2 D:CAF169 1.9 20.0 0.8 SG D:CAF169 2.2 20.0 1.0 CB D:CAF169 3.3 20.0 1.0 N D:TYR170 3.6 11.6 1.0 O D:ALA194 3.8 18.2 1.0 OE1 D:GLU45 4.0 19.5 1.0 NZ D:LYS127 4.1 18.1 1.0 CG D:PHE131 4.2 19.3 1.0 C D:CAF169 4.2 20.0 1.0 CB D:TYR170 4.3 12.0 1.0 CD1 D:PHE131 4.3 20.7 1.0 CB D:PHE131 4.3 18.5 1.0 CA D:CAF169 4.4 20.0 1.0 CA D:TYR170 4.5 11.6 1.0 C D:ALA194 4.5 17.9 1.0 CD2 D:PHE131 4.7 20.1 1.0 OE2 D:GLU45 4.8 19.1 1.0 O D:HOH523 4.8 24.0 1.0 N D:ALA194 4.8 16.6 1.0 CD D:GLU45 4.8 19.6 1.0 CE1 D:PHE131 4.9 20.4 1.0 CD1 D:PHE195 4.9 18.6 1.0

Arsenic binding site 5 out of 5 in the Structural Insights Into Yeast NIT2: Wild-Type Yeast NIT2


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 5 of Structural Insights Into Yeast NIT2: Wild-Type Yeast NIT2 within 5.0Å range: probe atom residue distance (Å) B Occ B:As405 b:35.6 occ:0.60 AS B:CAC405 0.0 35.6 0.6 O2 B:CAC405 1.7 30.4 0.6 O1 B:CAC405 1.8 31.2 0.6 C1 B:CAC405 1.9 32.9 0.6 C2 B:CAC405 2.0 32.8 0.6 O B:HOH599 3.2 41.4 1.0 O B:HOH553 3.9 19.6 1.0 OE2 B:GLU124 4.0 17.2 1.0 NE2 A:HIS240 4.1 18.9 1.0 CD2 B:LEU94 4.5 11.1 1.0 CD2 A:HIS240 4.6 18.4 1.0 CD1 B:ILE121 4.7 12.2 1.0 O B:HOH676 4.8 36.4 1.0 CD1 B:LEU94 4.8 11.8 1.0 CD1 B:ILE68 4.9 10.2 1.0 CD B:GLU124 5.0 14.6 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