Iron in PDB 1abw: Deoxy RHB1.1 (Recombinant Hemoglobin)

The structure of Deoxy RHB1.1 (Recombinant Hemoglobin), PDB code: 1abw was solved by C.E.Kundrot, K.S.Kroeger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	5.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.900, 81.980, 53.920, 90.00, 98.99, 90.00
R / Rfree (%)	16.4 / 23.2

The binding sites of Iron atom in the Deoxy RHB1.1 (Recombinant Hemoglobin) (pdb code 1abw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Deoxy RHB1.1 (Recombinant Hemoglobin), PDB code: 1abw:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Deoxy RHB1.1 (Recombinant Hemoglobin)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Deoxy RHB1.1 (Recombinant Hemoglobin) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe284 b:14.0 occ:1.00 FE A:HEM284 0.0 14.0 1.0 ND A:HEM284 2.0 13.4 1.0 NC A:HEM284 2.0 11.7 1.0 NB A:HEM284 2.1 13.2 1.0 NA A:HEM284 2.1 15.9 1.0 NE2 A:HIS87 2.3 12.1 1.0 O A:HOH428 2.8 26.3 1.0 C1D A:HEM284 3.0 12.9 1.0 C4C A:HEM284 3.0 11.0 1.0 C1C A:HEM284 3.1 11.7 1.0 C4D A:HEM284 3.1 14.5 1.0 C4B A:HEM284 3.1 12.6 1.0 C1B A:HEM284 3.1 13.6 1.0 C1A A:HEM284 3.1 16.7 1.0 C4A A:HEM284 3.1 16.3 1.0 CE1 A:HIS87 3.2 11.8 1.0 CD2 A:HIS87 3.4 12.6 1.0 CHD A:HEM284 3.4 12.0 1.0 CHC A:HEM284 3.5 10.5 1.0 CHA A:HEM284 3.5 14.7 1.0 CHB A:HEM284 3.5 15.8 1.0 C2D A:HEM284 4.3 13.4 1.0 C3C A:HEM284 4.3 10.6 1.0 C3D A:HEM284 4.3 13.3 1.0 C2C A:HEM284 4.3 11.7 1.0 NE2 A:HIS58 4.3 14.5 1.0 C3B A:HEM284 4.3 13.2 1.0 C2B A:HEM284 4.3 13.6 1.0 C2A A:HEM284 4.4 18.8 1.0 C3A A:HEM284 4.4 16.9 1.0 ND1 A:HIS87 4.4 12.5 1.0 CE1 A:HIS58 4.4 15.2 1.0 CG A:HIS87 4.5 14.1 1.0 CD1 A:LEU91 4.7 15.6 1.0

Iron binding site 2 out of 4 in the Deoxy RHB1.1 (Recombinant Hemoglobin)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Deoxy RHB1.1 (Recombinant Hemoglobin) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe285 b:12.1 occ:1.00 FE A:HEM285 0.0 12.1 1.0 NC A:HEM285 2.0 8.0 1.0 ND A:HEM285 2.0 8.6 1.0 NB A:HEM285 2.0 10.4 1.0 NA A:HEM285 2.1 11.7 1.0 NE2 A:HIS229 2.2 11.3 1.0 O A:HOH466 2.5 32.6 1.0 C4C A:HEM285 3.0 8.6 1.0 C1C A:HEM285 3.0 8.6 1.0 C1D A:HEM285 3.0 8.8 1.0 CE1 A:HIS229 3.1 8.9 1.0 C4B A:HEM285 3.1 10.3 1.0 C4D A:HEM285 3.1 9.3 1.0 C1B A:HEM285 3.1 11.6 1.0 C4A A:HEM285 3.1 11.5 1.0 C1A A:HEM285 3.1 10.9 1.0 CD2 A:HIS229 3.2 9.6 1.0 CHD A:HEM285 3.4 8.2 1.0 CHC A:HEM285 3.4 9.1 1.0 CHB A:HEM285 3.5 10.8 1.0 CHA A:HEM285 3.5 9.2 1.0 ND1 A:HIS229 4.2 10.9 1.0 C3C A:HEM285 4.2 8.1 1.0 C2C A:HEM285 4.2 9.2 1.0 C2D A:HEM285 4.2 9.3 1.0 C3D A:HEM285 4.3 8.8 1.0 C3B A:HEM285 4.3 11.2 1.0 CG A:HIS229 4.3 9.9 1.0 C2B A:HEM285 4.3 11.1 1.0 C3A A:HEM285 4.4 11.4 1.0 C2A A:HEM285 4.4 12.8 1.0 NE2 A:HIS200 4.4 7.7 1.0 CE1 A:HIS200 4.5 6.9 1.0 CD1 A:LEU233 4.7 12.5 1.0

Iron binding site 3 out of 4 in the Deoxy RHB1.1 (Recombinant Hemoglobin)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Deoxy RHB1.1 (Recombinant Hemoglobin) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:11.2 occ:1.00 FE B:HEM147 0.0 11.2 1.0 NB B:HEM147 2.0 11.5 1.0 ND B:HEM147 2.1 12.1 1.0 NA B:HEM147 2.1 14.1 1.0 NC B:HEM147 2.1 9.9 1.0 NE2 B:HIS92 2.2 8.3 1.0 C1B B:HEM147 3.1 11.0 1.0 C4C B:HEM147 3.1 8.7 1.0 C4A B:HEM147 3.1 12.5 1.0 C4D B:HEM147 3.1 12.9 1.0 C1D B:HEM147 3.1 10.8 1.0 C1A B:HEM147 3.1 13.6 1.0 C4B B:HEM147 3.1 9.6 1.0 CE1 B:HIS92 3.1 9.5 1.0 C1C B:HEM147 3.1 8.6 1.0 CD2 B:HIS92 3.2 8.6 1.0 CHB B:HEM147 3.4 11.8 1.0 CHD B:HEM147 3.4 10.3 1.0 CHA B:HEM147 3.5 13.2 1.0 CHC B:HEM147 3.5 8.3 1.0 CG2 B:VAL67 4.0 12.1 1.0 NE2 B:HIS63 4.2 17.1 1.0 ND1 B:HIS92 4.2 8.4 1.0 C2B B:HEM147 4.3 9.9 1.0 CG B:HIS92 4.3 10.1 1.0 C3B B:HEM147 4.3 11.1 1.0 C3A B:HEM147 4.3 13.5 1.0 C3D B:HEM147 4.3 12.5 1.0 C2D B:HEM147 4.3 12.2 1.0 C3C B:HEM147 4.3 8.6 1.0 C2A B:HEM147 4.3 14.9 1.0 C2C B:HEM147 4.3 7.9 1.0 CE1 B:HIS63 4.5 17.5 1.0

Iron binding site 4 out of 4 in the Deoxy RHB1.1 (Recombinant Hemoglobin)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Deoxy RHB1.1 (Recombinant Hemoglobin) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:10.8 occ:1.00 FE D:HEM147 0.0 10.8 1.0 ND D:HEM147 2.0 8.9 1.0 NB D:HEM147 2.1 8.9 1.0 NC D:HEM147 2.1 8.7 1.0 NA D:HEM147 2.1 10.0 1.0 NE2 D:HIS92 2.1 7.1 1.0 CE1 D:HIS92 3.0 6.0 1.0 C1D D:HEM147 3.0 11.9 1.0 C4C D:HEM147 3.1 9.8 1.0 C4D D:HEM147 3.1 11.0 1.0 C1B D:HEM147 3.1 9.4 1.0 C4B D:HEM147 3.1 8.4 1.0 C4A D:HEM147 3.1 10.4 1.0 C1A D:HEM147 3.1 10.6 1.0 C1C D:HEM147 3.1 7.8 1.0 CD2 D:HIS92 3.2 4.1 1.0 CHD D:HEM147 3.4 10.0 1.0 CHB D:HEM147 3.5 8.3 1.0 CHA D:HEM147 3.5 8.7 1.0 CHC D:HEM147 3.5 7.8 1.0 ND1 D:HIS92 4.2 5.7 1.0 CG2 D:VAL67 4.2 7.0 1.0 C2D D:HEM147 4.3 12.1 1.0 C2B D:HEM147 4.3 8.1 1.0 C3B D:HEM147 4.3 8.6 1.0 C3D D:HEM147 4.3 11.2 1.0 CG D:HIS92 4.3 6.6 1.0 C3C D:HEM147 4.3 10.1 1.0 C3A D:HEM147 4.3 11.2 1.0 C2A D:HEM147 4.3 12.9 1.0 C2C D:HEM147 4.3 8.4 1.0 NE2 D:HIS63 4.4 19.5 1.0 CE1 D:HIS63 4.8 19.3 1.0

K.S.Kroeger, C.E.Kundrot. Structures of A Hemoglobin-Based Blood Substitute: Insights Into the Function of Allosteric Proteins. Structure V. 5 227 1997.
ISSN: ISSN 0969-2126
PubMed: 9032082
DOI: 10.1016/S0969-2126(97)00181-0