Cadmium in PDB 2hz3: The X-Ray Crystal Structure of Ferrous Synechocystis Hemoglobin H117A Mutant with A Covalent Linkage

The structure of The X-Ray Crystal Structure of Ferrous Synechocystis Hemoglobin H117A Mutant with A Covalent Linkage, PDB code: 2hz3 was solved by J.A.Hoy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.53 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.819, 46.919, 62.089, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 24

The structure of The X-Ray Crystal Structure of Ferrous Synechocystis Hemoglobin H117A Mutant with A Covalent Linkage also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Cadmium atom in the The X-Ray Crystal Structure of Ferrous Synechocystis Hemoglobin H117A Mutant with A Covalent Linkage (pdb code 2hz3). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the The X-Ray Crystal Structure of Ferrous Synechocystis Hemoglobin H117A Mutant with A Covalent Linkage, PDB code: 2hz3:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the The X-Ray Crystal Structure of Ferrous Synechocystis Hemoglobin H117A Mutant with A Covalent Linkage


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of The X-Ray Crystal Structure of Ferrous Synechocystis Hemoglobin H117A Mutant with A Covalent Linkage within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd125 b:13.4 occ:1.00 ND1 A:HIS77 2.3 16.0 1.0 ND1 A:HIS33 2.4 18.7 1.0 O A:HIS33 2.6 13.3 1.0 CE1 A:HIS77 3.1 16.6 1.0 CG A:HIS33 3.3 15.0 1.0 CE1 A:HIS33 3.3 16.3 1.0 C A:HIS33 3.3 13.5 1.0 CG A:HIS77 3.4 14.3 1.0 CB A:HIS33 3.6 14.4 1.0 CB A:HIS77 3.8 12.8 1.0 N A:PHE34 4.0 14.2 1.0 CA A:HIS33 4.1 14.8 1.0 CA A:PHE34 4.2 12.9 1.0 NE2 A:HIS77 4.3 13.3 1.0 CD2 A:HIS33 4.3 17.2 1.0 NE2 A:HIS33 4.3 14.9 1.0 CD2 A:HIS77 4.4 14.3 1.0 CA A:HIS77 4.5 14.3 1.0 CD1 A:PHE34 4.9 11.4 1.0 O A:HIS77 5.0 15.0 1.0

Cadmium binding site 2 out of 2 in the The X-Ray Crystal Structure of Ferrous Synechocystis Hemoglobin H117A Mutant with A Covalent Linkage


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of The X-Ray Crystal Structure of Ferrous Synechocystis Hemoglobin H117A Mutant with A Covalent Linkage within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd126 b:26.0 occ:1.00 O A:HOH209 2.3 30.4 1.0 O A:HOH158 2.4 21.4 1.0 OD2 A:ASP120 2.4 17.4 1.0 OD1 A:ASP120 2.5 16.5 1.0 O A:HOH210 2.7 36.1 1.0 CG A:ASP120 2.8 17.2 1.0 O A:HOH177 4.2 24.0 1.0 CA A:GLY63 4.3 17.6 1.0 CB A:ASP120 4.4 18.1 1.0 O A:ALA116 4.5 21.2 1.0 NH2 A:ARG67 4.8 28.9 1.0 C A:GLY63 4.8 17.1 1.0

J.A.Hoy, B.J.Smagghe, P.Halder, M.S.Hargrove. Covalent Heme Attachment in Synechocystis Hemoglobin Is Required to Prevent Ferrous Heme Dissociation Protein Sci. V. 16 250 2007.
ISSN: ISSN 0961-8368
PubMed: 17242429
DOI: 10.1110/PS.062572607