Zinc 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:

Arsenic	(As)	1 atom
Chlorine	(Cl)	6 atoms

The binding sites of Zinc 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 Zinc atom.
In total 4 binding sites of Zinc where determined in the Structure of HI0828, A Hypothetical Protein From Haemophilus Influenzae with A Putative Active-Site Phosphohistidine, PDB code: 1mwq:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 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 Zinc with other atoms in the Zn 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:Zn301 b:9.2 occ:1.00 NE2 A:HIS24 2.0 7.6 1.0 CL A:CL305 2.2 11.2 1.0 CL A:CL306 2.2 13.7 1.0 CL A:CL307 2.3 11.4 1.0 CE1 A:HIS24 3.0 7.6 1.0 CD2 A:HIS24 3.1 7.5 1.0 CD1 A:LEU28 3.5 9.0 0.5 ND1 A:HIS24 4.1 7.1 1.0 NH1 A:ARG21 4.1 8.8 0.3 CA A:GLY41 4.2 6.3 1.0 CG A:HIS24 4.2 6.8 1.0 OG A:SER59 4.2 11.9 0.9 NH2 A:ARG21 4.3 12.2 0.3 C A:GLY41 4.3 5.8 1.0 N A:GLY41 4.3 6.1 1.0 CD2 A:LEU28 4.5 9.7 0.5 CB A:SER59 4.5 9.0 0.1 CB A:SER59 4.6 9.1 0.9 N A:PRO42 4.7 6.4 1.0 CZ A:ARG21 4.7 10.9 0.3 O A:GLY41 4.7 6.4 1.0 CG A:LEU28 4.8 8.7 0.5 O A:HOH1392 4.9 32.0 1.0 OH A:TYR86 4.9 12.0 1.0 CB A:ALA40 4.9 7.0 1.0 CD A:PRO42 4.9 7.5 1.0 CG A:LEU28 4.9 8.5 0.5

Zinc binding site 2 out of 4 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 Zinc with other atoms in the Zn binding site number 2 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:Zn303 b:11.5 occ:1.00 OE1 A:GLU66 2.0 12.8 1.0 NE2 A:HIS0 2.0 11.7 1.0 CD A:GLU66 2.9 11.8 1.0 CD2 A:HIS0 3.0 11.6 1.0 CE1 A:HIS0 3.0 12.8 1.0 OE2 A:GLU66 3.1 14.1 1.0 CG A:HIS0 4.1 11.0 1.0 ND1 A:HIS0 4.1 12.5 1.0 CG A:GLU66 4.3 12.2 1.0 NH2 A:ARG36 4.4 12.2 1.0 CB A:GLU66 4.7 11.5 1.0 CA A:GLU66 4.8 10.1 1.0

Zinc binding site 3 out of 4 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 Zinc with other atoms in the Zn binding site number 3 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 B:Zn302 b:8.1 occ:1.00 NE2 B:HIS24 2.0 7.5 1.0 CL B:CL308 2.2 8.6 1.0 CL B:CL309 2.2 10.4 1.0 CL B:CL310 2.3 9.6 1.0 CE1 B:HIS24 3.0 7.2 1.0 CD2 B:HIS24 3.1 7.4 1.0 CD1 B:LEU28 3.7 9.6 1.0 ND1 B:HIS24 4.1 7.2 1.0 O B:HOH1450 4.2 32.0 1.0 CG B:HIS24 4.2 7.1 1.0 CA B:GLY41 4.2 6.5 1.0 OG B:SER59 4.3 9.1 0.9 C B:GLY41 4.4 6.4 1.0 N B:GLY41 4.5 6.3 1.0 N B:PRO42 4.6 6.8 1.0 OH B:TYR86 4.6 10.4 1.0 CB B:SER59 4.6 5.1 0.1 O B:HOH1334 4.7 12.9 1.0 CB B:SER59 4.7 8.4 0.9 CD B:PRO42 4.7 7.6 1.0 CE2 B:TYR80 4.8 8.1 1.0 O B:GLY41 4.8 6.6 1.0

Zinc binding site 4 out of 4 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 Zinc with other atoms in the Zn binding site number 4 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 B:Zn304 b:16.4 occ:0.50 OE2 B:GLU82 2.0 37.3 1.0 O B:HOH1597 2.1 23.0 0.5 OE1 B:GLU82 2.3 42.6 1.0 CD B:GLU82 2.4 31.9 1.0 O B:HOH1446 3.3 16.0 1.0 O B:HOH1611 3.4 30.2 0.5 CG B:GLU82 3.9 18.7 1.0 O B:HOH1505 4.1 34.1 1.0 CB B:GLU82 4.8 14.7 1.0 O B:HOH1317 4.8 18.3 1.0 O B:HOH1594 4.8 35.0 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