Iron in PDB 1cqx: Crystal Structure of the Flavohemoglobin From Alcaligenes Eutrophus at 1.75 A Resolution

The structure of Crystal Structure of the Flavohemoglobin From Alcaligenes Eutrophus at 1.75 A Resolution, PDB code: 1cqx was solved by U.Ermler, R.A.Siddiqui, R.Cramm, B.Friedrich, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.200, 85.800, 103.900, 90.00, 81.80, 90.00
R / Rfree (%)	18.2 / 21.5

The structure of Crystal Structure of the Flavohemoglobin From Alcaligenes Eutrophus at 1.75 A Resolution also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iron atom in the Crystal Structure of the Flavohemoglobin From Alcaligenes Eutrophus at 1.75 A Resolution (pdb code 1cqx). 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 Structure of the Flavohemoglobin From Alcaligenes Eutrophus at 1.75 A Resolution, PDB code: 1cqx:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Flavohemoglobin From Alcaligenes Eutrophus at 1.75 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Flavohemoglobin From Alcaligenes Eutrophus at 1.75 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe404 b:14.3 occ:1.00 FE A:HEM404 0.0 14.3 1.0 NA A:HEM404 2.0 13.7 1.0 ND A:HEM404 2.0 15.8 1.0 NB A:HEM404 2.0 13.5 1.0 NC A:HEM404 2.0 13.2 1.0 NE2 A:HIS85 2.4 13.3 1.0 C1A A:HEM404 3.0 15.7 1.0 C4D A:HEM404 3.0 15.6 1.0 C4A A:HEM404 3.0 13.2 1.0 C4B A:HEM404 3.1 11.7 1.0 C1B A:HEM404 3.1 13.0 1.0 C1D A:HEM404 3.1 14.0 1.0 C1C A:HEM404 3.1 12.7 1.0 C4C A:HEM404 3.1 14.1 1.0 CE1 A:HIS85 3.3 12.3 1.0 CD2 A:HIS85 3.3 12.1 1.0 CHA A:HEM404 3.4 13.6 1.0 CHC A:HEM404 3.4 11.9 1.0 CHB A:HEM404 3.5 12.9 1.0 CHD A:HEM404 3.5 13.2 1.0 C29 A:DGG406 3.8 26.8 1.0 C30 A:DGG406 4.0 26.6 1.0 C2A A:HEM404 4.2 15.5 1.0 C3A A:HEM404 4.3 14.3 1.0 C3D A:HEM404 4.3 16.8 1.0 C2B A:HEM404 4.3 11.1 1.0 C2D A:HEM404 4.3 15.5 1.0 C2C A:HEM404 4.4 14.0 1.0 C3B A:HEM404 4.4 12.1 1.0 C3C A:HEM404 4.4 13.2 1.0 ND1 A:HIS85 4.4 14.0 1.0 CG A:HIS85 4.4 12.9 1.0 C39 A:DGG406 4.5 27.4 1.0 CG2 A:ILE81 4.8 17.2 1.0 C27 A:DGG406 4.9 26.1 1.0 C28 A:DGG406 5.0 24.4 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Flavohemoglobin From Alcaligenes Eutrophus at 1.75 A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Flavohemoglobin From Alcaligenes Eutrophus at 1.75 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe404 b:10.8 occ:1.00 FE B:HEM404 0.0 10.8 1.0 NB B:HEM404 1.9 12.9 1.0 NC B:HEM404 1.9 10.4 1.0 ND B:HEM404 2.0 13.9 1.0 NA B:HEM404 2.0 13.1 1.0 NE2 B:HIS85 2.4 13.5 1.0 C4B B:HEM404 3.0 11.6 1.0 C1C B:HEM404 3.0 10.2 1.0 C4C B:HEM404 3.1 10.6 1.0 C1B B:HEM404 3.1 12.1 1.0 C4D B:HEM404 3.1 12.5 1.0 C4A B:HEM404 3.1 12.2 1.0 C1A B:HEM404 3.1 13.3 1.0 C1D B:HEM404 3.1 11.1 1.0 CE1 B:HIS85 3.3 10.8 1.0 CD2 B:HIS85 3.4 10.6 1.0 CHC B:HEM404 3.4 12.1 1.0 CHD B:HEM404 3.4 9.8 1.0 CHA B:HEM404 3.5 11.6 1.0 CHB B:HEM404 3.5 12.6 1.0 C29 B:DGG406 3.7 28.7 1.0 C3B B:HEM404 4.2 12.9 1.0 C30 B:DGG406 4.2 28.9 1.0 C2C B:HEM404 4.2 10.7 1.0 C2B B:HEM404 4.3 12.7 1.0 C3C B:HEM404 4.3 11.2 1.0 C3A B:HEM404 4.3 12.0 1.0 C2A B:HEM404 4.3 13.0 1.0 C3D B:HEM404 4.3 13.8 1.0 C2D B:HEM404 4.4 11.1 1.0 C27 B:DGG406 4.4 27.5 1.0 ND1 B:HIS85 4.4 13.3 1.0 CG B:HIS85 4.5 11.0 1.0 C28 B:DGG406 4.7 27.3 1.0 CG2 B:ILE81 4.8 12.8 1.0 C39 B:DGG406 4.9 30.6 1.0

U.Ermler, R.A.Siddiqui, R.Cramm, B.Friedrich. Crystal Structure of the Flavohemoglobin From Alcaligenes Eutrophus at 1.75 A Resolution. Embo J. V. 14 6067 1995.
ISSN: ISSN 0261-4189
PubMed: 8557026