Arsenic in PDB 1mwq: Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine

The structure of Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine, PDB code: 1mwq was solved by M.A.Willis, W.Krajewski, V.R.Chalamasetty, P.Reddy, A.Howard, O.Herzberg, Structure 2 Function Project (S2F), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 0.99
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.476, 63.317, 75.465, 90.00, 90.00, 90.00
R / Rfree (%)	10.8 / 13.2

The structure of Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine also contains other interesting chemical elements:

Chlorine	(Cl)	6 atoms
Zinc	(Zn)	4 atoms

The binding sites of Arsenic atom in the Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine (pdb code 1mwq). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total only one binding site of Arsenic was determined in the Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine, PDB code: 1mwq:

Arsenic binding site 1 out of 1 in the Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine within 5.0Å range: probe atom residue distance (Å) B Occ A:As313 b:11.1 occ:0.20 AS A:CAC313 0.0 11.1 0.2 O2 A:CAC313 1.6 10.6 0.2 O1 A:CAC313 1.7 16.6 0.2 C2 A:CAC313 1.8 11.2 0.2 C1 A:CAC313 2.0 27.5 0.2 OH A:TYR2 3.3 24.4 1.0 O A:ASN35 3.5 11.4 1.0 OE1 A:GLN64 4.0 15.1 1.0 O A:HOH1616 4.1 46.2 1.0 CE2 A:TYR2 4.2 15.7 1.0 CZ A:TYR2 4.2 17.0 1.0 C A:ASN35 4.4 8.9 1.0 O A:LEU37 4.4 10.2 1.0 OD1 A:ASN35 4.5 19.9 1.0 C A:ARG36 4.5 7.6 1.0 C A:LEU37 4.6 7.8 1.0 O A:HOH1509 4.6 36.5 1.0 CA A:ARG36 4.6 7.6 1.0 CD A:GLN64 4.7 10.6 1.0 N A:LEU37 4.7 7.5 1.0 CD1 A:LEU38 4.7 22.7 0.6 N A:LEU38 4.8 7.1 1.0 CG A:ASN35 4.8 16.1 1.0 N A:ARG36 4.8 7.9 1.0 CA A:LEU38 4.9 7.5 1.0 O A:ARG36 4.9 9.3 1.0 O A:HOH1323 4.9 12.4 1.0

M.A.Willis, F.Song, Z.Zhuang, W.Krajewski, V.R.Chalamasetty, P.Reddy, A.Howard, D.Dunaway-Mariano, O.Herzberg. Structure of Ycii From Haemophilus Influenzae (HI0828) Reveals A Ferredoxin-Like Alpha/Beta-Fold with A Histidine/Aspartate Centered Catalytic Site Proteins V. 59 648 2005.
ISSN: ISSN 0887-3585
PubMed: 15779043
DOI: 10.1002/PROT.20411