Iron in PDB 3tgc: Crystal Structure of L130R Mutant of Nitrophorin 4 From Rhodnius Prolixus Complexed with Nitrite at pH 7.4

The structure of Crystal Structure of L130R Mutant of Nitrophorin 4 From Rhodnius Prolixus Complexed with Nitrite at pH 7.4, PDB code: 3tgc was solved by H.Ogata, C.He, M.Knipp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.59 / 1.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	69.762, 43.105, 52.428, 90.00, 94.40, 90.00
R / Rfree (%)	14.9 / 18.7

The binding sites of Iron atom in the Crystal Structure of L130R Mutant of Nitrophorin 4 From Rhodnius Prolixus Complexed with Nitrite at pH 7.4 (pdb code 3tgc). 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 Crystal Structure of L130R Mutant of Nitrophorin 4 From Rhodnius Prolixus Complexed with Nitrite at pH 7.4, PDB code: 3tgc:

Iron binding site 1 out of 1 in the Crystal Structure of L130R Mutant of Nitrophorin 4 From Rhodnius Prolixus Complexed with Nitrite at pH 7.4


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 L130R Mutant of Nitrophorin 4 From Rhodnius Prolixus Complexed with Nitrite at pH 7.4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe185 b:12.8 occ:1.00 FE A:HEM185 0.0 12.8 1.0 NC A:HEM185 2.0 13.2 1.0 NB A:HEM185 2.0 12.2 1.0 ND A:HEM185 2.0 12.1 1.0 NA A:HEM185 2.0 14.8 1.0 N A:NO2186 2.1 21.3 1.0 NE2 A:HIS59 2.1 10.8 1.0 C1D A:HEM185 3.0 12.0 1.0 C4C A:HEM185 3.0 12.9 1.0 CE1 A:HIS59 3.0 10.2 1.0 C1B A:HEM185 3.0 14.0 1.0 C4A A:HEM185 3.1 15.9 1.0 C1C A:HEM185 3.1 13.2 1.0 O2 A:NO2186 3.1 25.7 1.0 CD2 A:HIS59 3.1 11.7 1.0 C4D A:HEM185 3.1 12.4 1.0 C4B A:HEM185 3.1 12.8 1.0 C1A A:HEM185 3.1 15.0 1.0 O1 A:NO2186 3.1 24.1 1.0 CHD A:HEM185 3.4 12.1 1.0 CHB A:HEM185 3.4 15.2 1.0 CHC A:HEM185 3.5 12.9 1.0 CHA A:HEM185 3.5 13.6 1.0 ND1 A:HIS59 4.1 9.8 1.0 CG A:HIS59 4.2 11.1 1.0 C3C A:HEM185 4.3 13.7 1.0 C2D A:HEM185 4.3 12.8 1.0 C2C A:HEM185 4.3 14.2 1.0 C2B A:HEM185 4.3 15.3 1.0 C3B A:HEM185 4.3 14.9 1.0 C3A A:HEM185 4.3 17.4 1.0 C2A A:HEM185 4.3 17.7 1.0 C3D A:HEM185 4.3 12.9 1.0 CD2 A:LEU133 4.9 17.0 1.0

C.He, H.Ogata, M.Knipp. Insertion of An H-Bonding Residue Into the Distal Pocket of the Ferriheme Protein Nitrophorin 4: Effect on Nitrite[Bond]Iron Coordination and Nitrite Disproportionation Chem.Biodivers. V. 9 1761 2012.
ISSN: ISSN 1612-1872
PubMed: 22976968
DOI: 10.1002/CBDV.201100401