Iron in PDB 2bkm: Crystal Structure of the Truncated Hemoglobin From Geobacillus Stearothermophilus

The structure of Crystal Structure of the Truncated Hemoglobin From Geobacillus Stearothermophilus, PDB code: 2bkm was solved by A.Ilari, P.Kjelgaard, C.Von Wachenfeldt, A.Boffi, E.Chiancone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.123, 99.339, 35.252, 90.00, 105.59, 90.00
R / Rfree (%)	16.7 / 19.4

The binding sites of Iron atom in the Crystal Structure of the Truncated Hemoglobin From Geobacillus Stearothermophilus (pdb code 2bkm). 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 Truncated Hemoglobin From Geobacillus Stearothermophilus, PDB code: 2bkm:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Truncated Hemoglobin From Geobacillus Stearothermophilus


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 Truncated Hemoglobin From Geobacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:9.1 occ:1.00 FE A:HEM202 0.0 9.1 1.0 O1 A:OXY201 2.0 10.1 0.5 NA A:HEM202 2.0 9.4 1.0 NC A:HEM202 2.0 8.7 1.0 NB A:HEM202 2.0 7.3 1.0 NE2 A:HIS77 2.0 7.6 1.0 ND A:HEM202 2.0 8.7 1.0 OXT A:ACT203 2.1 5.3 0.5 O2 A:OXY201 2.7 2.7 0.5 CE1 A:HIS77 3.0 9.3 1.0 C1A A:HEM202 3.0 9.3 1.0 C4C A:HEM202 3.0 8.0 1.0 C4B A:HEM202 3.0 9.3 1.0 C4D A:HEM202 3.0 9.4 1.0 C4A A:HEM202 3.0 9.9 1.0 C1B A:HEM202 3.0 7.8 1.0 C1C A:HEM202 3.0 8.6 1.0 C1D A:HEM202 3.0 7.9 1.0 CD2 A:HIS77 3.1 11.3 1.0 C A:ACT203 3.1 8.1 0.5 CHC A:HEM202 3.4 8.0 1.0 CHA A:HEM202 3.4 11.2 1.0 CHD A:HEM202 3.4 9.1 1.0 CHB A:HEM202 3.4 10.4 1.0 CH3 A:ACT203 3.6 9.4 0.5 ND1 A:HIS77 4.1 10.8 1.0 O A:ACT203 4.1 7.7 0.5 CG A:HIS77 4.2 11.8 1.0 C3B A:HEM202 4.2 8.9 1.0 C3C A:HEM202 4.2 8.7 1.0 C2A A:HEM202 4.2 9.1 1.0 C3A A:HEM202 4.2 10.7 1.0 C2B A:HEM202 4.2 8.5 1.0 NE1 A:TRP90 4.3 8.1 1.0 C3D A:HEM202 4.3 10.4 1.0 C2C A:HEM202 4.3 6.7 1.0 C2D A:HEM202 4.3 10.1 1.0 CD1 A:TRP90 4.9 7.8 1.0 CZ A:PHE39 5.0 11.5 1.0 OE1 A:GLN50 5.0 12.1 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Truncated Hemoglobin From Geobacillus Stearothermophilus


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 Truncated Hemoglobin From Geobacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe202 b:9.5 occ:1.00 FE B:HEM202 0.0 9.5 1.0 NA B:HEM202 2.0 9.5 1.0 NC B:HEM202 2.0 8.1 1.0 NB B:HEM202 2.0 7.6 1.0 O1 B:OXY201 2.0 5.0 0.5 ND B:HEM202 2.0 9.4 1.0 NE2 B:HIS77 2.0 8.1 1.0 OXT B:ACT203 2.3 7.5 0.5 CE1 B:HIS77 2.9 10.2 1.0 C4C B:HEM202 3.0 7.6 1.0 C4A B:HEM202 3.0 7.4 1.0 C1D B:HEM202 3.0 8.0 1.0 C1A B:HEM202 3.0 11.0 1.0 C1C B:HEM202 3.0 7.5 1.0 O2 B:OXY201 3.0 7.2 0.5 C4B B:HEM202 3.0 9.0 1.0 C1B B:HEM202 3.0 8.7 1.0 C4D B:HEM202 3.0 12.7 1.0 CD2 B:HIS77 3.1 11.5 1.0 C B:ACT203 3.2 10.9 0.5 CHD B:HEM202 3.4 9.3 1.0 CHA B:HEM202 3.4 12.4 1.0 CHC B:HEM202 3.4 7.5 1.0 CHB B:HEM202 3.4 9.8 1.0 CH3 B:ACT203 3.7 12.1 0.5 ND1 B:HIS77 4.1 9.8 1.0 CG B:HIS77 4.2 9.5 1.0 C3C B:HEM202 4.2 8.1 1.0 C2A B:HEM202 4.2 10.0 1.0 C3A B:HEM202 4.2 8.8 1.0 C2C B:HEM202 4.2 6.8 1.0 C3B B:HEM202 4.2 9.4 1.0 NE1 B:TRP90 4.2 7.7 1.0 C2D B:HEM202 4.2 11.3 1.0 C2B B:HEM202 4.3 8.6 1.0 O B:ACT203 4.3 10.0 0.5 C3D B:HEM202 4.3 11.9 1.0 OE1 B:GLN50 4.9 12.0 1.0 CD1 B:TRP90 5.0 7.6 1.0 CZ B:PHE39 5.0 10.0 1.0

A.Ilari, P.Kjelgaard, C.Von Wachenfeldt, B.Catacchio, E.Chiancone, A.Boffi. Crystal Structure and Ligand Binding Properties of the Truncated Hemoglobin From Geobacillus Stearothermophilus Arch.Biochem.Biophys. V. 457 85 2007.
ISSN: ISSN 0003-9861
PubMed: 17126283
DOI: 10.1016/J.ABB.2006.09.033