Iron in PDB 6u97: Structure of OMCF_H47I Mutant

The structure of Structure of OMCF_H47I Mutant, PDB code: 6u97 was solved by P.R.Pokkuluri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.87 / 1.13
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	38.186, 39.019, 49.218, 90.00, 90.00, 90.00
R / Rfree (%)	12.6 / 15.3

The binding sites of Iron atom in the Structure of OMCF_H47I Mutant (pdb code 6u97). 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 Structure of OMCF_H47I Mutant, PDB code: 6u97:

Iron binding site 1 out of 1 in the Structure of OMCF_H47I Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of OMCF_H47I Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe202 b:8.2 occ:1.00 FE A:HEM202 0.0 8.2 1.0 NB A:HEM202 2.0 8.1 1.0 NC A:HEM202 2.0 8.6 1.0 NE2 A:HIS39 2.0 8.1 1.0 NA A:HEM202 2.0 8.4 1.0 ND A:HEM202 2.0 8.3 1.0 SD A:MET79 2.3 8.5 1.0 CE1 A:HIS39 3.0 9.0 1.0 C4C A:HEM202 3.0 8.2 1.0 C1B A:HEM202 3.0 8.6 1.0 C4A A:HEM202 3.0 8.6 1.0 C1D A:HEM202 3.0 7.9 1.0 C4B A:HEM202 3.1 7.9 1.0 C1C A:HEM202 3.1 8.5 1.0 C1A A:HEM202 3.1 9.4 1.0 C4D A:HEM202 3.1 8.9 1.0 CD2 A:HIS39 3.1 8.1 1.0 HE1 A:HIS39 3.2 10.8 1.0 HD2 A:HIS39 3.3 9.7 1.0 HG3 A:MET79 3.3 10.9 1.0 CE A:MET79 3.4 9.7 1.0 CHD A:HEM202 3.4 8.0 1.0 CHB A:HEM202 3.4 9.0 1.0 CHA A:HEM202 3.4 9.3 1.0 CHC A:HEM202 3.4 7.7 1.0 HE1 A:MET79 3.5 11.6 1.0 HE3 A:MET79 3.5 11.6 1.0 CG A:MET79 3.5 9.1 1.0 HB2 A:MET79 3.7 11.4 1.0 HE2 A:TYR71 4.0 12.7 1.0 ND1 A:HIS39 4.1 9.5 1.0 CB A:MET79 4.2 9.5 1.0 CG A:HIS39 4.2 8.4 1.0 HE2 A:MET79 4.2 11.6 1.0 HG2 A:MET79 4.2 10.9 1.0 C3C A:HEM202 4.2 8.9 1.0 C3B A:HEM202 4.3 8.7 1.0 C3D A:HEM202 4.3 8.7 1.0 C2B A:HEM202 4.3 8.8 1.0 C2C A:HEM202 4.3 8.7 1.0 C2D A:HEM202 4.3 8.6 1.0 C2A A:HEM202 4.3 10.5 1.0 C3A A:HEM202 4.3 10.1 1.0 HD21 A:LEU52 4.3 15.4 1.0 HHD A:HEM202 4.4 9.6 1.0 HHB A:HEM202 4.4 10.8 1.0 HHA A:HEM202 4.4 11.1 1.0 HHC A:HEM202 4.4 9.3 1.0 HB3 A:MET79 4.7 11.4 1.0 HB2 A:CYS38 4.8 11.7 1.0 HD1 A:HIS39 4.9 11.4 1.0 CE2 A:TYR71 5.0 10.6 1.0 HD21 A:ASN44 5.0 11.0 1.0

L.R.Teixeira, C.M.Cordas, M.P.Fonseca, N.E.C.Duke, P.R.Pokkuluri, C.A.Salgueiro. Modulation of the Redox Potential and Electron/Proton Transfer Mechanisms in the Outer Membrane Cytochrome Omcf Fromgeobacter Sulfurreducens. Front Microbiol V. 10 2941 2019.
ISSN: ESSN 1664-302X
PubMed: 32010071
DOI: 10.3389/FMICB.2019.02941