Iron in PDB 4gzg: Crystal Structures of Dhpa-Co Complex

The structure of Crystal Structures of Dhpa-Co Complex, PDB code: 4gzg was solved by J.Zhao, S.Franzen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.24 / 1.49
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.725, 67.270, 69.055, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 20.9

The binding sites of Iron atom in the Crystal Structures of Dhpa-Co Complex (pdb code 4gzg). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structures of Dhpa-Co Complex, PDB code: 4gzg:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structures of Dhpa-Co Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structures of Dhpa-Co Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:11.9 occ:1.00 FE A:HEM201 0.0 11.9 1.0 ND A:HEM201 2.0 11.4 1.0 NB A:HEM201 2.0 10.2 1.0 NA A:HEM201 2.1 11.9 1.0 NC A:HEM201 2.1 10.3 1.0 NE2 A:HIS89 2.1 11.5 1.0 C A:CMO202 2.2 9.7 1.0 C4B A:HEM201 3.0 9.9 1.0 CD2 A:HIS89 3.1 11.9 1.0 C1B A:HEM201 3.1 10.4 1.0 C4C A:HEM201 3.1 9.3 1.0 C1D A:HEM201 3.1 10.4 1.0 C4A A:HEM201 3.1 10.2 1.0 CE1 A:HIS89 3.1 11.9 1.0 C4D A:HEM201 3.1 12.1 1.0 C1C A:HEM201 3.1 11.6 1.0 C1A A:HEM201 3.1 13.6 1.0 O A:CMO202 3.3 16.2 1.0 CHA A:HEM201 3.4 11.1 1.0 CHB A:HEM201 3.4 10.9 1.0 CHD A:HEM201 3.4 11.7 1.0 CHC A:HEM201 3.4 9.4 1.0 ND1 A:HIS89 4.2 12.2 1.0 CG A:HIS89 4.2 11.3 1.0 C3B A:HEM201 4.2 8.9 1.0 C2B A:HEM201 4.2 10.9 1.0 C2D A:HEM201 4.3 14.1 1.0 C2A A:HEM201 4.3 13.3 1.0 C2C A:HEM201 4.3 10.7 1.0 C3C A:HEM201 4.3 11.5 1.0 C3D A:HEM201 4.3 16.2 1.0 C3A A:HEM201 4.3 12.6 1.0 CG2 A:VAL59 4.5 12.7 1.0 CE A:MET86 4.6 11.6 0.5 CG1 A:VAL59 4.9 9.8 1.0

Iron binding site 2 out of 2 in the Crystal Structures of Dhpa-Co Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structures of Dhpa-Co Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:11.0 occ:1.00 FE B:HEM201 0.0 11.0 1.0 NB B:HEM201 2.0 8.9 1.0 NC B:HEM201 2.0 9.3 1.0 ND B:HEM201 2.0 10.2 1.0 C B:CMO206 2.0 9.9 1.0 NA B:HEM201 2.1 10.4 1.0 NE2 B:HIS89 2.1 9.6 1.0 C1C B:HEM201 3.0 9.8 1.0 C1D B:HEM201 3.0 10.7 1.0 C4A B:HEM201 3.1 10.3 1.0 C4B B:HEM201 3.1 7.5 1.0 C4C B:HEM201 3.1 9.2 1.0 C1B B:HEM201 3.1 9.9 1.0 CD2 B:HIS89 3.1 9.3 1.0 C4D B:HEM201 3.1 12.7 1.0 CE1 B:HIS89 3.1 10.4 1.0 C1A B:HEM201 3.1 13.2 1.0 O B:CMO206 3.2 17.4 1.0 CHC B:HEM201 3.4 8.4 1.0 CHD B:HEM201 3.4 12.2 1.0 CHB B:HEM201 3.5 8.8 1.0 CHA B:HEM201 3.5 11.4 1.0 ND1 B:HIS89 4.2 12.4 1.0 CG B:HIS89 4.2 9.1 1.0 C2C B:HEM201 4.3 11.1 1.0 C2B B:HEM201 4.3 8.4 1.0 C2D B:HEM201 4.3 14.6 1.0 C3C B:HEM201 4.3 10.6 1.0 C3B B:HEM201 4.3 9.1 1.0 C3A B:HEM201 4.3 11.3 1.0 C2A B:HEM201 4.3 12.5 1.0 C3D B:HEM201 4.3 15.5 1.0 CG2 B:VAL59 4.5 11.1 1.0 CE B:MET86 4.8 14.0 1.0 CG1 B:VAL59 4.8 9.3 1.0 NE2 B:HIS55 5.0 2.0 0.1

J.Zhao, S.Franzen. The Role of Distal Histidine in Carbonmonoxide Dhp Structure To Be Published.