Cadmium in PDB 2hz2: The X-Ray Crystal Structure of Ferric Synechocystis Hemoglobin H117A Mutant with A Covalent Linkage

The structure of The X-Ray Crystal Structure of Ferric Synechocystis Hemoglobin H117A Mutant with A Covalent Linkage, PDB code: 2hz2 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 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	43.874, 47.101, 61.951, 90.00, 90.00, 90.00
R / Rfree (%)	18.5 / 25.9

The structure of The X-Ray Crystal Structure of Ferric 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 Ferric Synechocystis Hemoglobin H117A Mutant with A Covalent Linkage (pdb code 2hz2). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 3 binding sites of Cadmium where determined in the The X-Ray Crystal Structure of Ferric Synechocystis Hemoglobin H117A Mutant with A Covalent Linkage, PDB code: 2hz2:
Jump to Cadmium binding site number: 1; 2; 3;

Cadmium binding site 1 out of 3 in the The X-Ray Crystal Structure of Ferric 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 Ferric Synechocystis Hemoglobin H117A Mutant with A Covalent Linkage within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd201 b:14.1 occ:1.00 ND1 A:HIS33 2.3 17.3 1.0 ND1 A:HIS77 2.3 16.2 1.0 O A:HIS33 2.6 12.8 1.0 CE1 A:HIS77 3.1 15.5 1.0 CE1 A:HIS33 3.2 13.6 1.0 CG A:HIS33 3.3 14.6 1.0 C A:HIS33 3.3 14.1 1.0 CG A:HIS77 3.4 12.8 1.0 CB A:HIS33 3.6 15.4 1.0 CB A:HIS77 3.8 12.5 1.0 N A:PHE34 4.0 13.9 1.0 CA A:HIS33 4.1 15.1 1.0 CA A:PHE34 4.2 14.9 1.0 NE2 A:HIS77 4.3 13.6 1.0 NE2 A:HIS33 4.4 14.4 1.0 CD2 A:HIS77 4.4 14.2 1.0 CD2 A:HIS33 4.4 14.6 1.0 CA A:HIS77 4.5 13.8 1.0 CD1 A:PHE34 4.9 16.6 1.0 CB A:ALA36 4.9 18.4 1.0 O A:HIS77 5.0 15.5 1.0 C A:PHE34 5.0 14.8 1.0

Cadmium binding site 2 out of 3 in the The X-Ray Crystal Structure of Ferric 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 Ferric Synechocystis Hemoglobin H117A Mutant with A Covalent Linkage within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd202 b:21.4 occ:1.00 O A:HOH249 2.0 24.4 1.0 O A:HOH206 2.4 14.5 1.0 OD2 A:ASP120 2.4 14.5 1.0 OD1 A:ASP120 2.5 18.7 1.0 O A:HOH329 2.5 29.3 1.0 CG A:ASP120 2.8 19.8 1.0 O A:HOH211 4.0 24.6 1.0 CB A:ASP120 4.4 18.9 1.0 CA A:GLY63 4.4 16.1 1.0 O A:ALA116 4.4 23.0 1.0 O A:HOH251 4.4 36.9 1.0 C A:GLY63 4.9 15.8 1.0 NH2 A:ARG67 4.9 29.2 1.0

Cadmium binding site 3 out of 3 in the The X-Ray Crystal Structure of Ferric 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 3 of The X-Ray Crystal Structure of Ferric Synechocystis Hemoglobin H117A Mutant with A Covalent Linkage within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd203 b:84.8 occ:1.00 OE2 A:GLU6 2.3 42.3 1.0 O A:HOH276 2.6 39.1 1.0 OE1 A:GLU6 2.7 41.4 1.0 CD A:GLU6 2.8 41.5 1.0 O A:HOH274 2.9 32.7 1.0 N A:SER2 3.1 47.3 1.0 CG A:GLU6 4.2 39.1 1.0 CA A:SER2 4.5 47.1 1.0 O A:HOH297 4.7 29.7 1.0 OG A:SER2 4.9 48.5 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