Iron in PDB 1rvw: R State Human Hemoglobin [Alpha V96W], Carbonmonoxy

The structure of R State Human Hemoglobin [Alpha V96W], Carbonmonoxy, PDB code: 1rvw was solved by Y.A.Puius, M.Zou, N.T.Ho, C.Ho, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.50
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	54.282, 54.282, 194.122, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / n/a

The binding sites of Iron atom in the R State Human Hemoglobin [Alpha V96W], Carbonmonoxy (pdb code 1rvw). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the R State Human Hemoglobin [Alpha V96W], Carbonmonoxy, PDB code: 1rvw:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the R State Human Hemoglobin [Alpha V96W], Carbonmonoxy


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of R State Human Hemoglobin [Alpha V96W], Carbonmonoxy within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:20.8 occ:1.00 FE A:HEM201 0.0 20.8 1.0 NA A:HEM201 2.0 24.1 1.0 NB A:HEM201 2.0 20.2 1.0 ND A:HEM201 2.0 29.3 1.0 NC A:HEM201 2.0 22.1 1.0 C A:CMO202 2.1 29.7 1.0 NE2 A:HIS87 2.2 17.9 1.0 CE1 A:HIS87 2.9 21.6 1.0 C1A A:HEM201 3.0 23.6 1.0 C4D A:HEM201 3.0 27.5 1.0 C4A A:HEM201 3.0 19.5 1.0 C1B A:HEM201 3.0 16.0 1.0 C4B A:HEM201 3.0 16.4 1.0 C1C A:HEM201 3.1 20.6 1.0 C4C A:HEM201 3.1 18.8 1.0 C1D A:HEM201 3.1 25.1 1.0 O A:CMO202 3.2 41.1 1.0 CHA A:HEM201 3.3 21.9 1.0 CD2 A:HIS87 3.4 17.7 1.0 CHB A:HEM201 3.4 16.7 1.0 CHC A:HEM201 3.4 14.7 1.0 CHD A:HEM201 3.5 17.3 1.0 C2A A:HEM201 4.2 25.0 1.0 ND1 A:HIS87 4.2 25.4 1.0 C3A A:HEM201 4.2 23.2 1.0 C3D A:HEM201 4.2 23.0 1.0 C3B A:HEM201 4.3 24.0 1.0 C2B A:HEM201 4.3 19.9 1.0 C3C A:HEM201 4.3 23.9 1.0 C2C A:HEM201 4.3 22.0 1.0 NE2 A:HIS58 4.3 18.3 1.0 C2D A:HEM201 4.3 23.8 1.0 CG A:HIS87 4.3 25.8 1.0

Iron binding site 2 out of 2 in the R State Human Hemoglobin [Alpha V96W], Carbonmonoxy


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of R State Human Hemoglobin [Alpha V96W], Carbonmonoxy within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:33.7 occ:1.00 FE B:HEM201 0.0 33.7 1.0 NA B:HEM201 2.0 38.2 1.0 ND B:HEM201 2.0 40.8 1.0 NC B:HEM201 2.0 42.1 1.0 NB B:HEM201 2.0 31.4 1.0 NE2 B:HIS92 2.1 6.5 1.0 C B:CMO202 2.1 34.5 1.0 CE1 B:HIS92 2.9 17.2 1.0 C1A B:HEM201 3.0 35.9 1.0 C4D B:HEM201 3.0 39.9 1.0 C1D B:HEM201 3.0 41.6 1.0 C4A B:HEM201 3.0 32.8 1.0 C1C B:HEM201 3.1 37.0 1.0 C4C B:HEM201 3.1 41.3 1.0 C4B B:HEM201 3.1 27.7 1.0 C1B B:HEM201 3.1 30.0 1.0 CD2 B:HIS92 3.1 18.4 1.0 O B:CMO202 3.2 38.7 1.0 CHA B:HEM201 3.4 36.6 1.0 CHC B:HEM201 3.4 29.9 1.0 CHD B:HEM201 3.4 46.0 1.0 CHB B:HEM201 3.5 32.8 1.0 ND1 B:HIS92 4.1 22.8 1.0 CG B:HIS92 4.2 21.1 1.0 C2A B:HEM201 4.2 36.8 1.0 C3D B:HEM201 4.2 39.5 1.0 C3A B:HEM201 4.2 29.0 1.0 C2D B:HEM201 4.3 39.3 1.0 C3C B:HEM201 4.3 37.0 1.0 C2C B:HEM201 4.3 32.9 1.0 C2B B:HEM201 4.3 31.9 1.0 NE2 B:HIS63 4.3 39.4 1.0 C3B B:HEM201 4.3 29.6 1.0

Y.A.Puius, M.Zou, N.T.Ho, C.Ho, S.C.Almo. Novel Water-Mediated Hydrogen Bonds As the Structural Basis For the Low Oxygen Affinity of the Blood Substitute Candidate Rhb(Alpha 96VAL-->Trp). Biochemistry V. 37 9258 1998.
ISSN: ISSN 0006-2960
PubMed: 9649306
DOI: 10.1021/BI9727287