Iron in PDB 5vmm: Staphylococcus Aureus Isdb Bound to Human Hemoglobin

The structure of Staphylococcus Aureus Isdb Bound to Human Hemoglobin, PDB code: 5vmm was solved by C.F.Bowden, A.C.Chan, M.E.Murphy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.79 / 3.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	140.815, 209.114, 70.431, 90.00, 90.00, 90.00
R / Rfree (%)	25.2 / 30.2

The binding sites of Iron atom in the Staphylococcus Aureus Isdb Bound to Human Hemoglobin (pdb code 5vmm). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Staphylococcus Aureus Isdb Bound to Human Hemoglobin, PDB code: 5vmm:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Staphylococcus Aureus Isdb Bound to Human Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Staphylococcus Aureus Isdb Bound to Human Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:0.4 occ:1.00 FE A:HEM201 0.0 0.4 1.0 NA A:HEM201 2.1 0.8 1.0 NC A:HEM201 2.1 0.6 1.0 ND A:HEM201 2.1 0.4 1.0 NB A:HEM201 2.1 0.4 1.0 NE2 A:HIS58 2.6 96.0 1.0 NE2 A:HIS89 2.7 0.6 1.0 CD2 A:HIS89 3.1 0.1 1.0 C4A A:HEM201 3.1 0.1 1.0 C1D A:HEM201 3.1 1.0 1.0 C1A A:HEM201 3.1 0.4 1.0 C4C A:HEM201 3.1 0.9 1.0 C1B A:HEM201 3.1 1.0 1.0 C1C A:HEM201 3.1 0.6 1.0 C4D A:HEM201 3.1 0.9 1.0 C4B A:HEM201 3.1 99.8 1.0 CE1 A:HIS58 3.2 0.6 1.0 CHD A:HEM201 3.4 0.4 1.0 CHB A:HEM201 3.4 0.2 1.0 CHA A:HEM201 3.4 0.7 1.0 CHC A:HEM201 3.5 0.3 1.0 CD2 A:HIS58 3.8 95.3 1.0 CE1 A:HIS89 3.8 0.4 1.0 CG A:HIS89 4.2 0.8 1.0 C2A A:HEM201 4.3 0.3 1.0 C3A A:HEM201 4.3 0.3 1.0 C2B A:HEM201 4.3 96.3 1.0 C3C A:HEM201 4.3 0.9 1.0 C2C A:HEM201 4.3 0.5 1.0 C3B A:HEM201 4.3 99.6 1.0 C2D A:HEM201 4.3 0.7 1.0 C3D A:HEM201 4.3 0.6 1.0 ND1 A:HIS58 4.5 0.3 1.0 ND1 A:HIS89 4.5 0.1 1.0 CG A:HIS58 4.8 0.6 1.0 OH F:TYR444 4.9 0.8 1.0

Iron binding site 2 out of 2 in the Staphylococcus Aureus Isdb Bound to Human Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Staphylococcus Aureus Isdb Bound to Human Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:0.9 occ:1.00 FE C:HEM201 0.0 0.9 1.0 NC C:HEM201 2.1 0.1 1.0 NA C:HEM201 2.1 0.4 1.0 ND C:HEM201 2.1 0.6 1.0 NB C:HEM201 2.1 0.5 1.0 NE2 C:HIS89 2.7 0.9 1.0 NE2 C:HIS58 2.8 0.8 1.0 CE1 C:HIS58 2.9 0.6 1.0 C1D C:HEM201 3.1 0.1 1.0 C4C C:HEM201 3.1 0.8 1.0 C1C C:HEM201 3.1 0.2 1.0 C1A C:HEM201 3.1 0.3 1.0 C4D C:HEM201 3.1 0.3 1.0 C4A C:HEM201 3.1 0.6 1.0 C1B C:HEM201 3.1 0.1 1.0 C4B C:HEM201 3.1 0.1 1.0 CE1 C:HIS89 3.2 0.9 1.0 CHD C:HEM201 3.4 0.5 1.0 CHA C:HEM201 3.4 0.2 1.0 CHC C:HEM201 3.4 0.0 1.0 CHB C:HEM201 3.5 0.1 1.0 CD2 C:HIS89 3.6 0.8 1.0 CD2 C:HIS58 4.0 0.5 1.0 ND1 C:HIS58 4.1 0.8 1.0 ND1 C:HIS89 4.2 1.0 1.0 C2C C:HEM201 4.3 0.4 1.0 C3C C:HEM201 4.3 0.3 1.0 C2D C:HEM201 4.3 0.9 1.0 C2A C:HEM201 4.3 0.1 1.0 C3D C:HEM201 4.3 0.1 1.0 C3A C:HEM201 4.3 0.8 1.0 C2B C:HEM201 4.3 0.7 1.0 C3B C:HEM201 4.3 0.6 1.0 CG C:HIS89 4.5 0.9 1.0 CG C:HIS58 4.7 0.7 1.0

C.F.M.Bowden, A.C.K.Chan, E.J.W.Li, A.L.Arrieta, L.D.Eltis, M.E.P.Murphy. Structure-Function Analyses Reveal Key Features in Staphylococcus Aureus Isdb-Associated Unfolding of the Heme-Binding Pocket of Human Hemoglobin. J. Biol. Chem. V. 293 177 2018.
ISSN: ESSN 1083-351X
PubMed: 29109153
DOI: 10.1074/JBC.M117.806562