Arsenic in PDB 3wgh: Crystal Structure of Rsp in Complex with Beta-Nadh

The structure of Crystal Structure of Rsp in Complex with Beta-Nadh, PDB code: 3wgh was solved by Y.Zheng, T.-P.Ko, R.-T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.61 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.793, 75.123, 59.208, 90.00, 94.37, 90.00
R / Rfree (%)	17.7 / 23.7

The structure of Crystal Structure of Rsp in Complex with Beta-Nadh also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Arsenic atom in the Crystal Structure of Rsp in Complex with Beta-Nadh (pdb code 3wgh). 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 Rsp in Complex with Beta-Nadh, PDB code: 3wgh:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in the Crystal Structure of Rsp in Complex with Beta-Nadh


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 Rsp in Complex with Beta-Nadh within 5.0Å range: probe atom residue distance (Å) B Occ A:As302 b:96.7 occ:1.00 AS A:CAC302 0.0 96.7 1.0 O1 A:CAC302 1.7 95.6 1.0 O2 A:CAC302 1.8 97.6 1.0 C1 A:CAC302 2.0 98.1 1.0 C2 A:CAC302 2.0 99.0 1.0 O B:HOH411 3.5 26.8 1.0 CE1 B:HIS194 3.8 30.2 1.0 NH1 A:ARG20 3.8 35.3 1.0 OH A:TYR21 3.9 63.1 1.0 O A:HOH584 4.0 55.8 1.0 NE A:ARG17 4.2 53.3 1.0 NH2 A:ARG20 4.3 35.0 1.0 NH2 A:ARG17 4.4 53.3 1.0 CE2 A:TYR21 4.4 55.7 1.0 ND2 B:ASN192 4.5 31.1 1.0 ND1 B:HIS194 4.5 35.5 1.0 O B:HOH505 4.5 63.2 1.0 CZ A:ARG20 4.5 36.9 1.0 O B:HOH471 4.5 52.8 1.0 CB B:ASN192 4.6 29.5 1.0 CZ A:TYR21 4.7 57.7 1.0 NE2 B:HIS194 4.7 35.3 1.0 CZ A:ARG17 4.8 57.2 1.0

Arsenic binding site 2 out of 2 in the Crystal Structure of Rsp in Complex with Beta-Nadh


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 Rsp in Complex with Beta-Nadh within 5.0Å range: probe atom residue distance (Å) B Occ B:As302 b:0.3 occ:1.00 AS B:CAC302 0.0 0.3 1.0 O1 B:CAC302 1.7 0.8 1.0 O2 B:CAC302 1.7 0.2 1.0 C1 B:CAC302 2.0 0.5 1.0 C2 B:CAC302 2.0 0.4 1.0 O A:HOH505 3.6 38.1 1.0 NH1 B:ARG20 3.8 44.0 1.0 CE1 A:HIS194 4.0 33.6 1.0 ND2 A:ASN192 4.2 46.2 1.0 CB A:ASN192 4.4 40.6 1.0 O B:HOH403 4.5 47.2 1.0 O B:HOH592 4.5 98.3 1.0 ND1 A:HIS194 4.6 40.1 1.0 CZ B:ARG20 4.8 42.1 1.0 NH2 B:ARG20 4.8 36.1 1.0 CG A:ASN192 4.9 45.5 1.0 ZN A:ZN304 4.9 0.1 1.0

Y.Zheng, T.-P.Ko, R.-T.Guo. Redox Level Sensing By Rsp Binding to Nad and Dna To Be Published.