Iron in PDB 9bcj: Crystal Structure of Human Hemoglobin in Complex with the Hbpa Receptor From Corynebacterium Diphtheriae

The structure of Crystal Structure of Human Hemoglobin in Complex with the Hbpa Receptor From Corynebacterium Diphtheriae, PDB code: 9bcj was solved by B.J.Mahoney, D.Cascio, R.T.Clubb, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.60 / 1.69
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	58.925, 58.925, 286.146, 90, 90, 90
R / Rfree (%)	18.9 / 21.5

The binding sites of Iron atom in the Crystal Structure of Human Hemoglobin in Complex with the Hbpa Receptor From Corynebacterium Diphtheriae (pdb code 9bcj). 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 Human Hemoglobin in Complex with the Hbpa Receptor From Corynebacterium Diphtheriae, PDB code: 9bcj:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Human Hemoglobin in Complex with the Hbpa Receptor From Corynebacterium Diphtheriae


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 Human Hemoglobin in Complex with the Hbpa Receptor From Corynebacterium Diphtheriae within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:19.1 occ:1.00 FE A:HEM201 0.0 19.1 1.0 NA A:HEM201 2.0 19.4 1.0 ND A:HEM201 2.0 18.1 1.0 NC A:HEM201 2.1 18.1 1.0 NB A:HEM201 2.1 18.6 1.0 NE2 A:HIS87 2.1 19.0 1.0 O A:HOH330 2.2 22.9 1.0 C1C A:HEM201 3.0 17.8 1.0 C1A A:HEM201 3.1 19.3 1.0 C1D A:HEM201 3.1 17.8 1.0 C4D A:HEM201 3.1 18.8 1.0 C4B A:HEM201 3.1 18.6 1.0 C1B A:HEM201 3.1 18.5 1.0 C4C A:HEM201 3.1 17.8 1.0 C4A A:HEM201 3.1 18.5 1.0 CE1 A:HIS87 3.1 19.6 1.0 CD2 A:HIS87 3.1 17.6 1.0 CHC A:HEM201 3.4 17.9 1.0 CHA A:HEM201 3.4 19.4 1.0 CHB A:HEM201 3.4 18.1 1.0 CHD A:HEM201 3.4 17.0 1.0 NE2 A:HIS58 4.2 26.5 1.0 CG A:HIS87 4.2 17.1 1.0 ND1 A:HIS87 4.2 18.8 1.0 C3B A:HEM201 4.3 18.8 1.0 C3C A:HEM201 4.3 18.0 1.0 C2C A:HEM201 4.3 17.3 1.0 C2A A:HEM201 4.3 20.3 1.0 C3D A:HEM201 4.3 19.3 1.0 C2D A:HEM201 4.3 18.3 1.0 C3A A:HEM201 4.3 18.8 1.0 C2B A:HEM201 4.3 18.4 1.0 CE1 A:HIS58 4.6 27.4 1.0 CG2 A:VAL62 4.9 20.7 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Human Hemoglobin in Complex with the Hbpa Receptor From Corynebacterium Diphtheriae


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 Human Hemoglobin in Complex with the Hbpa Receptor From Corynebacterium Diphtheriae within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:32.7 occ:1.00 FE B:HEM201 0.0 32.7 1.0 NE2 B:HIS92 2.0 39.0 1.0 ND B:HEM201 2.0 33.3 1.0 NA B:HEM201 2.0 33.6 1.0 NC B:HEM201 2.1 31.7 1.0 NB B:HEM201 2.1 31.9 1.0 O B:HOH317 2.3 33.3 1.0 CD2 B:HIS92 3.0 38.2 1.0 C1A B:HEM201 3.0 34.9 1.0 C4D B:HEM201 3.1 35.0 1.0 C1C B:HEM201 3.1 31.5 1.0 CE1 B:HIS92 3.1 38.9 1.0 C1D B:HEM201 3.1 33.7 1.0 C4A B:HEM201 3.1 33.7 1.0 C4B B:HEM201 3.1 32.0 1.0 C1B B:HEM201 3.1 32.2 1.0 C4C B:HEM201 3.1 31.9 1.0 CHC B:HEM201 3.4 31.9 1.0 CHA B:HEM201 3.4 34.8 1.0 CHB B:HEM201 3.4 32.8 1.0 CHD B:HEM201 3.5 32.3 1.0 CG B:HIS92 4.2 37.8 1.0 NE2 B:HIS63 4.2 38.1 1.0 ND1 B:HIS92 4.2 38.7 1.0 C2A B:HEM201 4.3 36.2 1.0 C3D B:HEM201 4.3 36.0 1.0 C3A B:HEM201 4.3 34.9 1.0 C2D B:HEM201 4.3 34.7 1.0 C3B B:HEM201 4.3 31.9 1.0 C3C B:HEM201 4.3 31.5 1.0 C2C B:HEM201 4.3 31.0 1.0 C2B B:HEM201 4.3 32.2 1.0 CG2 B:VAL67 4.8 34.4 1.0 CE1 B:HIS63 4.8 38.0 1.0

B.J.Mahoney, L.R.Lyman, J.Ford, J.Soule, N.A.Cheung, A.K.Goring, K.Ellis-Guardiola, M.J.Collazo, D.Cascio, H.Ton-That, M.P.Schmitt, R.T.Clubb. Molecular Basis of Hemoglobin Binding and Heme Removal in Corynebacterium Diphtheriae. Proc.Natl.Acad.Sci.Usa V. 122 33122 2025.
ISSN: ESSN 1091-6490
PubMed: 39739808
DOI: 10.1073/PNAS.2411833122