Iron in PDB 2xki: Aquo-Met Structure of C.Lacteus Mini-Hb

The structure of Aquo-Met Structure of C.Lacteus Mini-Hb, PDB code: 2xki was solved by A.Pesce, M.Nardini, S.Dewilde, L.Capece, M.A.Marti, S.Congia, M.D.Salter, G.C.Blouin, D.A.Estrin, P.Ascenzi, L.Moens, M.Bolognesi, J.S.Olson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.09 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.503, 43.197, 60.168, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 17.7

The binding sites of Iron atom in the Aquo-Met Structure of C.Lacteus Mini-Hb (pdb code 2xki). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Aquo-Met Structure of C.Lacteus Mini-Hb, PDB code: 2xki:

Iron binding site 1 out of 1 in the Aquo-Met Structure of C.Lacteus Mini-Hb


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Aquo-Met Structure of C.Lacteus Mini-Hb within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1110 b:7.1 occ:1.00 FE A:HEM1110 0.0 7.1 1.0 NB A:HEM1110 2.0 8.1 1.0 NC A:HEM1110 2.0 7.7 1.0 NA A:HEM1110 2.0 6.9 1.0 ND A:HEM1110 2.0 6.8 1.0 NE2 A:HIS69 2.0 7.0 1.0 O A:HOH2060 2.1 5.8 0.7 CE1 A:HIS69 3.0 7.9 1.0 C4B A:HEM1110 3.0 8.2 1.0 C1A A:HEM1110 3.0 7.5 1.0 C1C A:HEM1110 3.0 8.5 1.0 C4D A:HEM1110 3.0 7.0 1.0 C1D A:HEM1110 3.0 7.7 1.0 C4C A:HEM1110 3.1 7.9 1.0 C1B A:HEM1110 3.1 7.8 1.0 C4A A:HEM1110 3.1 6.5 1.0 CD2 A:HIS69 3.1 8.0 1.0 CHC A:HEM1110 3.4 8.5 1.0 CHA A:HEM1110 3.4 7.8 1.0 CHD A:HEM1110 3.4 7.8 1.0 CHB A:HEM1110 3.4 7.5 1.0 O A:HOH2015 3.7 9.3 0.3 ND1 A:HIS69 4.1 8.3 1.0 CG A:HIS69 4.2 7.7 1.0 NE2 A:GLN44 4.2 11.3 0.7 C3B A:HEM1110 4.2 9.2 1.0 C2B A:HEM1110 4.3 7.7 1.0 C2A A:HEM1110 4.3 7.6 1.0 C2D A:HEM1110 4.3 8.2 1.0 C3C A:HEM1110 4.3 8.5 1.0 C3D A:HEM1110 4.3 7.9 1.0 C2C A:HEM1110 4.3 9.3 1.0 C3A A:HEM1110 4.3 7.9 1.0 OH A:TYR11 4.6 8.4 0.7 CZ A:PHE25 4.6 8.3 1.0 CE2 A:PHE25 4.9 8.3 1.0 CZ A:PHE79 4.9 9.7 1.0

A.Pesce, M.Nardini, S.Dewilde, L.Capece, M.A.Marti, S.Congia, M.D.Salter, G.C.Blouin, D.A.Estrin, P.Ascenzi, L.Moens, M.Bolognesi, J.S.Olson. Ligand Migration in the Apolar Tunnel of Cerebratulus Lacteus Mini-Hemoglobin. J.Biol.Chem. V. 286 5347 2011.
ISSN: ISSN 0021-9258
PubMed: 21147768
DOI: 10.1074/JBC.M110.169045