Iron in PDB 1aby: Cyanomet RHB1.1 (Recombinant Hemoglobin)

The structure of Cyanomet RHB1.1 (Recombinant Hemoglobin), PDB code: 1aby 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)	10.00 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	102.540, 115.170, 56.700, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 27.8

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

Iron binding site 1 out of 4 in the Cyanomet 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 Cyanomet RHB1.1 (Recombinant Hemoglobin) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe286 b:19.9 occ:1.00 FE A:HEM286 0.0 19.9 1.0 NE2 A:HIS87 1.9 19.5 1.0 ND A:HEM286 1.9 17.9 1.0 NA A:HEM286 2.0 19.1 1.0 NC A:HEM286 2.1 18.7 1.0 NB A:HEM286 2.1 22.5 1.0 C A:CYN284 2.1 18.4 1.0 CE1 A:HIS87 2.7 23.8 1.0 N A:CYN284 2.9 19.0 1.0 C4D A:HEM286 3.0 23.2 1.0 C1D A:HEM286 3.0 20.9 1.0 C1A A:HEM286 3.0 23.4 1.0 C4A A:HEM286 3.0 20.8 1.0 C4C A:HEM286 3.1 14.6 1.0 C1B A:HEM286 3.1 24.5 1.0 C1C A:HEM286 3.1 14.4 1.0 CD2 A:HIS87 3.1 24.6 1.0 C4B A:HEM286 3.1 20.6 1.0 CHA A:HEM286 3.4 22.5 1.0 CHD A:HEM286 3.4 16.2 1.0 CHB A:HEM286 3.4 26.0 1.0 CHC A:HEM286 3.5 16.6 1.0 ND1 A:HIS87 3.9 19.2 1.0 CG A:HIS87 4.1 22.2 1.0 C3D A:HEM286 4.2 22.3 1.0 C2D A:HEM286 4.2 23.5 1.0 C2A A:HEM286 4.3 21.1 1.0 C3A A:HEM286 4.3 21.8 1.0 C3C A:HEM286 4.3 12.6 1.0 C2C A:HEM286 4.3 10.6 1.0 NE2 A:HIS58 4.3 30.3 1.0 C2B A:HEM286 4.3 19.6 1.0 C3B A:HEM286 4.4 20.8 1.0 CE1 A:HIS58 4.6 22.6 1.0

Iron binding site 2 out of 4 in the Cyanomet 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 Cyanomet RHB1.1 (Recombinant Hemoglobin) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe287 b:28.6 occ:1.00 FE A:HEM287 0.0 28.6 1.0 ND A:HEM287 2.0 28.3 1.0 NC A:HEM287 2.0 30.3 1.0 NA A:HEM287 2.0 33.3 1.0 NB A:HEM287 2.1 28.9 1.0 C A:CYN285 2.1 31.6 1.0 NE2 A:HIS229 2.1 21.2 1.0 C1D A:HEM287 3.0 27.5 1.0 C4C A:HEM287 3.0 28.8 1.0 CD2 A:HIS229 3.0 26.6 1.0 C4D A:HEM287 3.0 31.0 1.0 C1A A:HEM287 3.1 38.2 1.0 C1C A:HEM287 3.1 27.4 1.0 C4A A:HEM287 3.1 29.6 1.0 C4B A:HEM287 3.1 28.4 1.0 CE1 A:HIS229 3.1 24.7 1.0 C1B A:HEM287 3.1 27.8 1.0 N A:CYN285 3.1 33.6 1.0 CHD A:HEM287 3.4 26.7 1.0 CHA A:HEM287 3.4 34.0 1.0 CHC A:HEM287 3.5 29.8 1.0 CHB A:HEM287 3.5 29.6 1.0 CG A:HIS229 4.2 27.4 1.0 ND1 A:HIS229 4.2 28.0 1.0 C2D A:HEM287 4.2 29.1 1.0 C3D A:HEM287 4.2 31.2 1.0 C3C A:HEM287 4.2 26.8 1.0 C2C A:HEM287 4.3 24.0 1.0 C2A A:HEM287 4.3 35.9 1.0 C3A A:HEM287 4.3 31.6 1.0 C3B A:HEM287 4.3 26.1 1.0 C2B A:HEM287 4.3 23.1 1.0 NE2 A:HIS200 4.7 39.1 1.0

Iron binding site 3 out of 4 in the Cyanomet 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 Cyanomet RHB1.1 (Recombinant Hemoglobin) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe148 b:21.2 occ:1.00 FE B:HEM148 0.0 21.2 1.0 ND B:HEM148 2.0 23.1 1.0 NC B:HEM148 2.0 18.3 1.0 NA B:HEM148 2.0 23.1 1.0 NB B:HEM148 2.0 19.1 1.0 C B:CYN147 2.1 24.9 1.0 NE2 B:HIS92 2.1 17.4 1.0 CE1 B:HIS92 2.8 10.4 1.0 C1D B:HEM148 3.0 22.6 1.0 C4C B:HEM148 3.0 20.3 1.0 C4D B:HEM148 3.0 24.6 1.0 C4A B:HEM148 3.0 22.8 1.0 C1B B:HEM148 3.0 15.1 1.0 C1C B:HEM148 3.1 14.6 1.0 C4B B:HEM148 3.1 15.0 1.0 C1A B:HEM148 3.1 23.2 1.0 N B:CYN147 3.2 27.6 1.0 CHD B:HEM148 3.4 23.4 1.0 CD2 B:HIS92 3.4 21.3 1.0 CHB B:HEM148 3.4 19.5 1.0 CHA B:HEM148 3.4 20.6 1.0 CHC B:HEM148 3.4 10.1 1.0 ND1 B:HIS92 4.0 17.3 1.0 C2D B:HEM148 4.2 22.8 1.0 C3D B:HEM148 4.2 24.3 1.0 C3C B:HEM148 4.2 20.2 1.0 C2C B:HEM148 4.2 18.7 1.0 C2B B:HEM148 4.3 18.1 1.0 C3A B:HEM148 4.3 22.0 1.0 C3B B:HEM148 4.3 22.0 1.0 C2A B:HEM148 4.3 23.2 1.0 CG B:HIS92 4.3 16.1 1.0 NE2 B:HIS63 4.8 30.1 1.0 CE1 B:HIS63 4.9 31.3 1.0

Iron binding site 4 out of 4 in the Cyanomet 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 Cyanomet RHB1.1 (Recombinant Hemoglobin) within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe148 b:24.4 occ:1.00 FE D:HEM148 0.0 24.4 1.0 NB D:HEM148 2.0 19.5 1.0 NC D:HEM148 2.0 19.7 1.0 NA D:HEM148 2.0 22.7 1.0 ND D:HEM148 2.0 23.6 1.0 C D:CYN147 2.1 25.7 1.0 NE2 D:HIS92 2.2 19.7 1.0 N D:CYN147 2.8 28.2 1.0 C4B D:HEM148 3.0 22.5 1.0 C1B D:HEM148 3.0 22.3 1.0 C1C D:HEM148 3.0 24.0 1.0 C4A D:HEM148 3.0 24.8 1.0 C1A D:HEM148 3.1 26.7 1.0 C4C D:HEM148 3.1 23.6 1.0 C4D D:HEM148 3.1 27.1 1.0 C1D D:HEM148 3.1 23.8 1.0 CE1 D:HIS92 3.1 20.7 1.0 CD2 D:HIS92 3.2 19.5 1.0 CHC D:HEM148 3.4 22.0 1.0 CHB D:HEM148 3.4 24.6 1.0 CHA D:HEM148 3.4 28.2 1.0 CHD D:HEM148 3.4 24.0 1.0 C2B D:HEM148 4.2 20.4 1.0 C3B D:HEM148 4.2 20.7 1.0 ND1 D:HIS92 4.2 18.3 1.0 C2C D:HEM148 4.3 24.1 1.0 C3A D:HEM148 4.3 23.7 1.0 C3C D:HEM148 4.3 25.1 1.0 C2A D:HEM148 4.3 26.6 1.0 C3D D:HEM148 4.3 23.9 1.0 C2D D:HEM148 4.3 21.4 1.0 CG D:HIS92 4.3 20.8 1.0 NE2 D:HIS63 4.7 38.4 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