Iron in PDB 3zjj: Phe(93)E11LEU Mutation of M.Acetivorans Protoglobin in Complex with Cyanide

The structure of Phe(93)E11LEU Mutation of M.Acetivorans Protoglobin in Complex with Cyanide, PDB code: 3zjj was solved by A.Pesce, L.Tilleman, J.Donne, E.Aste, P.Ascenzi, C.Ciaccio, M.Coletta, L.Moens, C.Viappiani, S.Dewilde, M.Bolognesi, M.Nardini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	98.80 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	124.900, 48.290, 99.120, 90.00, 94.63, 90.00
R / Rfree (%)	20.213 / 26.263

The binding sites of Iron atom in the Phe(93)E11LEU Mutation of M.Acetivorans Protoglobin in Complex with Cyanide (pdb code 3zjj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Phe(93)E11LEU Mutation of M.Acetivorans Protoglobin in Complex with Cyanide, PDB code: 3zjj:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Phe(93)E11LEU Mutation of M.Acetivorans Protoglobin in Complex with Cyanide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Phe(93)E11LEU Mutation of M.Acetivorans Protoglobin in Complex with Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe200 b:10.6 occ:1.00 FE A:HEM200 0.0 10.6 1.0 NC A:HEM200 2.0 6.5 1.0 NA A:HEM200 2.0 8.6 1.0 NE2 A:HIS120 2.1 8.8 1.0 NB A:HEM200 2.1 11.5 1.0 ND A:HEM200 2.1 9.7 1.0 C A:CYN201 2.3 6.2 1.0 C4C A:HEM200 3.0 9.7 1.0 C1C A:HEM200 3.0 8.0 1.0 C4A A:HEM200 3.0 12.8 1.0 CE1 A:HIS120 3.0 8.3 1.0 C1A A:HEM200 3.0 9.2 1.0 CD2 A:HIS120 3.1 11.4 1.0 C4B A:HEM200 3.1 13.8 1.0 C4D A:HEM200 3.1 11.1 1.0 C1B A:HEM200 3.1 12.3 1.0 C1D A:HEM200 3.1 11.4 1.0 N A:CYN201 3.3 8.8 1.0 CHA A:HEM200 3.3 10.5 1.0 CHB A:HEM200 3.4 10.8 1.0 CHC A:HEM200 3.4 10.6 1.0 CHD A:HEM200 3.4 9.3 1.0 ND1 A:HIS120 4.1 10.9 1.0 CG A:HIS120 4.2 9.9 1.0 C3C A:HEM200 4.2 7.2 1.0 C3A A:HEM200 4.2 14.5 1.0 C2C A:HEM200 4.2 8.2 1.0 C2A A:HEM200 4.2 13.1 1.0 C3B A:HEM200 4.3 12.8 1.0 C2B A:HEM200 4.3 12.7 1.0 C3D A:HEM200 4.3 13.1 1.0 C2D A:HEM200 4.4 12.9 1.0

Iron binding site 2 out of 3 in the Phe(93)E11LEU Mutation of M.Acetivorans Protoglobin in Complex with Cyanide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Phe(93)E11LEU Mutation of M.Acetivorans Protoglobin in Complex with Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe200 b:12.1 occ:1.00 FE B:HEM200 0.0 12.1 1.0 NC B:HEM200 2.0 6.9 1.0 NB B:HEM200 2.0 8.9 1.0 NE2 B:HIS120 2.0 11.9 1.0 NA B:HEM200 2.1 7.1 1.0 C B:CYN201 2.1 7.8 1.0 ND B:HEM200 2.1 14.1 1.0 CE1 B:HIS120 2.9 14.3 1.0 C4C B:HEM200 3.0 12.2 1.0 C4A B:HEM200 3.0 11.1 1.0 C1B B:HEM200 3.0 9.1 1.0 C4B B:HEM200 3.1 9.0 1.0 C1C B:HEM200 3.1 6.5 1.0 C1A B:HEM200 3.1 11.1 1.0 C1D B:HEM200 3.1 12.8 1.0 C4D B:HEM200 3.1 13.4 1.0 CD2 B:HIS120 3.1 11.4 1.0 N B:CYN201 3.2 9.3 1.0 CHD B:HEM200 3.3 10.5 1.0 CHB B:HEM200 3.3 9.9 1.0 CHC B:HEM200 3.4 7.2 1.0 CHA B:HEM200 3.5 11.1 1.0 ND1 B:HIS120 4.1 12.6 1.0 CG B:HIS120 4.2 12.1 1.0 C3C B:HEM200 4.2 10.7 1.0 C3A B:HEM200 4.2 11.1 1.0 C2C B:HEM200 4.2 9.1 1.0 C2A B:HEM200 4.3 11.2 1.0 C3B B:HEM200 4.3 7.4 1.0 C2B B:HEM200 4.3 7.8 1.0 C3D B:HEM200 4.3 11.8 1.0 C2D B:HEM200 4.3 13.6 1.0

Iron binding site 3 out of 3 in the Phe(93)E11LEU Mutation of M.Acetivorans Protoglobin in Complex with Cyanide


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Phe(93)E11LEU Mutation of M.Acetivorans Protoglobin in Complex with Cyanide within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe200 b:11.8 occ:1.00 FE C:HEM200 0.0 11.8 1.0 NC C:HEM200 2.0 10.6 1.0 NA C:HEM200 2.0 10.0 1.0 C C:CYN201 2.1 6.2 1.0 NB C:HEM200 2.1 11.0 1.0 NE2 C:HIS120 2.1 8.1 1.0 ND C:HEM200 2.2 12.7 1.0 C4C C:HEM200 3.0 15.2 1.0 C4A C:HEM200 3.0 12.6 1.0 C1C C:HEM200 3.0 12.6 1.0 C1A C:HEM200 3.0 9.3 1.0 CD2 C:HIS120 3.1 9.7 1.0 C4B C:HEM200 3.1 10.8 1.0 C1B C:HEM200 3.1 9.1 1.0 CE1 C:HIS120 3.1 6.7 1.0 C4D C:HEM200 3.1 12.6 1.0 C1D C:HEM200 3.2 13.6 1.0 N C:CYN201 3.2 8.8 1.0 CHB C:HEM200 3.4 10.2 1.0 CHA C:HEM200 3.4 11.2 1.0 CHC C:HEM200 3.4 12.3 1.0 CHD C:HEM200 3.4 13.9 1.0 CG C:HIS120 4.2 10.8 1.0 ND1 C:HIS120 4.2 9.5 1.0 C3C C:HEM200 4.2 15.4 1.0 C2C C:HEM200 4.2 14.1 1.0 C3A C:HEM200 4.3 10.9 1.0 C2A C:HEM200 4.3 11.1 1.0 C3B C:HEM200 4.3 10.6 1.0 C2B C:HEM200 4.3 9.6 1.0 C3D C:HEM200 4.4 12.5 1.0 C2D C:HEM200 4.4 13.1 1.0

A.Pesce, L.Tilleman, J.Donne, E.Aste, P.Ascenzi, C.Ciaccio, M.Coletta, L.Moens, C.Viappiani, S.Dewilde, M.Bolognesi, M.Nardini. Structure and Haem-Distal Site Plasticity in Methanosarcina Acetivorans Protoglobin. Plos One V. 8 66144 2013.
ISSN: ISSN 1932-6203
PubMed: 23776624
DOI: 10.1371/JOURNAL.PONE.0066144