Arsenic in PDB 3e38: Crystal Structure of A Two-Domain Protein Containing Predicted Php- Like Metal-Dependent Phosphoesterase (BVU_3505) From Bacteroides Vulgatus Atcc 8482 at 2.20 A Resolution

The structure of Crystal Structure of A Two-Domain Protein Containing Predicted Php- Like Metal-Dependent Phosphoesterase (BVU_3505) From Bacteroides Vulgatus Atcc 8482 at 2.20 A Resolution, PDB code: 3e38 was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.60 / 2.20
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	95.680, 117.820, 79.560, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 22.5

The structure of Crystal Structure of A Two-Domain Protein Containing Predicted Php- Like Metal-Dependent Phosphoesterase (BVU_3505) From Bacteroides Vulgatus Atcc 8482 at 2.20 A Resolution also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Arsenic atom in the Crystal Structure of A Two-Domain Protein Containing Predicted Php- Like Metal-Dependent Phosphoesterase (BVU_3505) From Bacteroides Vulgatus Atcc 8482 at 2.20 A Resolution (pdb code 3e38). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Crystal Structure of A Two-Domain Protein Containing Predicted Php- Like Metal-Dependent Phosphoesterase (BVU_3505) From Bacteroides Vulgatus Atcc 8482 at 2.20 A Resolution, PDB code: 3e38:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Crystal Structure of A Two-Domain Protein Containing Predicted Php- Like Metal-Dependent Phosphoesterase (BVU_3505) From Bacteroides Vulgatus Atcc 8482 at 2.20 A Resolution


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of A Two-Domain Protein Containing Predicted Php- Like Metal-Dependent Phosphoesterase (BVU_3505) From Bacteroides Vulgatus Atcc 8482 at 2.20 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:As7 b:54.6 occ:1.00 AS A:CAC7 0.0 54.6 1.0 O2 A:CAC7 1.7 52.9 1.0 O1 A:CAC7 1.8 47.6 1.0 C2 A:CAC7 2.0 30.8 1.0 C1 A:CAC7 2.0 28.6 1.0 ZN A:ZN3 2.8 27.2 1.0 O A:HOH378 3.0 24.0 1.0 ZN A:ZN1 3.2 35.0 1.0 CE1 A:HIS76 3.5 31.9 1.0 ZN A:ZN2 3.5 30.5 1.0 NE2 A:HIS216 3.6 32.9 1.0 CE1 A:HIS216 3.7 32.7 1.0 NE2 A:HIS76 3.7 23.2 1.0 OD2 A:ASP214 4.1 32.5 1.0 OD1 A:ASP214 4.2 30.4 1.0 OE1 A:GLU113 4.5 34.1 1.0 OD2 A:ASP51 4.5 37.1 1.0 NE2 A:HIS157 4.6 27.0 1.0 CG A:ASP214 4.6 29.1 1.0 ND1 A:HIS122 4.6 27.4 1.0 CE1 A:HIS122 4.6 29.7 1.0 NE2 A:HIS46 4.6 22.9 1.0 OE2 A:GLU113 4.7 29.3 1.0 ND1 A:HIS76 4.7 24.8 1.0 CD2 A:HIS216 4.9 31.6 1.0 ND1 A:HIS216 4.9 27.0 1.0 CD A:GLU113 5.0 32.8 1.0

Arsenic binding site 2 out of 2 in the Crystal Structure of A Two-Domain Protein Containing Predicted Php- Like Metal-Dependent Phosphoesterase (BVU_3505) From Bacteroides Vulgatus Atcc 8482 at 2.20 A Resolution


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of A Two-Domain Protein Containing Predicted Php- Like Metal-Dependent Phosphoesterase (BVU_3505) From Bacteroides Vulgatus Atcc 8482 at 2.20 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:As8 b:61.7 occ:1.00 AS B:CAC8 0.0 61.7 1.0 O2 B:CAC8 1.8 49.8 1.0 O1 B:CAC8 1.8 37.2 1.0 C2 B:CAC8 1.9 24.2 1.0 C1 B:CAC8 2.0 33.6 1.0 ZN B:ZN6 2.9 32.5 1.0 O B:HOH403 3.2 32.7 1.0 ZN B:ZN4 3.2 40.7 1.0 ZN B:ZN5 3.4 34.6 1.0 CE1 B:HIS76 3.5 29.8 1.0 NE2 B:HIS76 3.5 23.1 1.0 NE2 B:HIS216 3.7 32.0 1.0 CE1 B:HIS216 3.8 28.8 1.0 OD2 B:ASP214 4.2 34.6 1.0 OD1 B:ASP214 4.2 34.8 1.0 OD2 B:ASP51 4.3 23.9 1.0 OE1 B:GLU113 4.3 30.5 1.0 NE2 B:HIS157 4.6 26.7 1.0 OE2 B:GLU113 4.6 25.4 1.0 CG B:ASP214 4.6 32.4 1.0 NE2 B:HIS46 4.6 14.6 1.0 ND1 B:HIS122 4.6 33.2 1.0 CE1 B:HIS122 4.7 28.2 1.0 ND1 B:HIS76 4.8 28.2 1.0 CD B:GLU113 4.8 32.4 1.0 CD2 B:HIS76 4.9 26.6 1.0

Joint Center For Structural Genomics (Jcsg), Joint Center For Structural Genomics (Jcsg). N/A N/A.