Iron in PDB 3mol: Structure of Dimeric Holo Hasap H32A Mutant From Pseudomonas Aeruginosa to 1.20A Resolution

The structure of Structure of Dimeric Holo Hasap H32A Mutant From Pseudomonas Aeruginosa to 1.20A Resolution, PDB code: 3mol was solved by S.Lovell, K.P.Battaile, G.Jepkorir, J.C.Rodriguez, H.Rui, W.Im, A.Y.Alontaga, E.Yukl, P.Moenne-Loccoz, M.Rivera, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.25 / 1.20
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	71.740, 52.700, 85.714, 90.00, 91.48, 90.00
R / Rfree (%)	17.7 / 19.7

The binding sites of Iron atom in the Structure of Dimeric Holo Hasap H32A Mutant From Pseudomonas Aeruginosa to 1.20A Resolution (pdb code 3mol). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Dimeric Holo Hasap H32A Mutant From Pseudomonas Aeruginosa to 1.20A Resolution, PDB code: 3mol:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of Dimeric Holo Hasap H32A Mutant From Pseudomonas Aeruginosa to 1.20A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Dimeric Holo Hasap H32A Mutant From Pseudomonas Aeruginosa to 1.20A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe185 b:15.2 occ:1.00 FE A:HEM185 0.0 15.2 1.0 NB A:HEM185 2.0 17.6 1.0 OH A:TYR75 2.0 13.9 1.0 ND A:HEM185 2.1 16.3 1.0 NA A:HEM185 2.1 15.3 1.0 NC A:HEM185 2.1 14.0 1.0 CZ A:TYR75 3.0 13.4 1.0 C1B A:HEM185 3.0 19.1 1.0 C4B A:HEM185 3.0 14.3 1.0 C4A A:HEM185 3.0 19.2 1.0 C1D A:HEM185 3.1 15.8 1.0 C4C A:HEM185 3.1 14.4 1.0 C1C A:HEM185 3.1 15.6 1.0 C1A A:HEM185 3.1 15.9 1.0 C4D A:HEM185 3.1 14.2 1.0 CHB A:HEM185 3.3 14.9 1.0 CHD A:HEM185 3.4 13.7 1.0 CHC A:HEM185 3.4 16.8 1.0 CHA A:HEM185 3.5 16.9 1.0 CHB B:HEM185 3.7 18.2 1.0 CE1 A:TYR75 3.7 14.2 1.0 CE2 A:TYR75 3.8 13.0 1.0 ND1 A:HIS83 3.9 15.5 1.0 C4A B:HEM185 3.9 17.5 1.0 C1B B:HEM185 4.1 17.4 1.0 C3A B:HEM185 4.1 19.9 1.0 C2B A:HEM185 4.2 18.5 1.0 C3B A:HEM185 4.2 18.4 1.0 C3A A:HEM185 4.3 14.6 1.0 C2D A:HEM185 4.3 16.7 1.0 C3C A:HEM185 4.3 14.6 1.0 CMA B:HEM185 4.3 21.6 1.0 C2A A:HEM185 4.3 17.4 1.0 C2C A:HEM185 4.3 15.4 1.0 C3D A:HEM185 4.3 17.7 1.0 NA B:HEM185 4.5 21.2 1.0 CG A:HIS83 4.6 17.4 1.0 CB A:HIS83 4.6 14.9 1.0 C2B B:HEM185 4.7 16.5 1.0 CE1 A:HIS83 4.7 15.6 1.0 NB B:HEM185 4.7 17.3 1.0 C2A B:HEM185 4.9 17.2 1.0 CD1 A:TYR75 4.9 12.9 1.0 CMB B:HEM185 4.9 18.3 1.0 CD2 A:TYR75 5.0 15.0 1.0

Iron binding site 2 out of 2 in the Structure of Dimeric Holo Hasap H32A Mutant From Pseudomonas Aeruginosa to 1.20A Resolution


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Dimeric Holo Hasap H32A Mutant From Pseudomonas Aeruginosa to 1.20A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe185 b:18.0 occ:1.00 FE B:HEM185 0.0 18.0 1.0 OH B:TYR75 2.0 16.1 1.0 NB B:HEM185 2.0 17.3 1.0 NA B:HEM185 2.1 21.2 1.0 ND B:HEM185 2.1 21.0 1.0 NC B:HEM185 2.1 18.3 1.0 CZ B:TYR75 2.9 14.2 1.0 C1B B:HEM185 3.0 17.4 1.0 C4B B:HEM185 3.0 16.0 1.0 C4A B:HEM185 3.1 17.5 1.0 C1D B:HEM185 3.1 20.6 1.0 C4D B:HEM185 3.1 19.4 1.0 C1C B:HEM185 3.1 18.9 1.0 C1A B:HEM185 3.1 18.9 1.0 C4C B:HEM185 3.1 19.2 1.0 CHB B:HEM185 3.4 18.2 1.0 CHC B:HEM185 3.4 17.4 1.0 CHD B:HEM185 3.4 18.3 1.0 CHA B:HEM185 3.5 19.5 1.0 C3A A:HEM185 3.6 14.6 1.0 CE2 B:TYR75 3.7 12.9 1.0 C2A A:HEM185 3.7 17.4 1.0 CE1 B:TYR75 3.7 14.6 1.0 C4A A:HEM185 3.8 19.2 1.0 CD2 B:HIS83 3.8 11.6 1.0 CMA A:HEM185 4.0 21.6 1.0 C1A A:HEM185 4.1 15.9 1.0 NA A:HEM185 4.1 15.3 1.0 C3B B:HEM185 4.2 15.8 1.0 C2B B:HEM185 4.2 16.5 1.0 C2D B:HEM185 4.3 20.5 1.0 C3A B:HEM185 4.3 19.9 1.0 CAA A:HEM185 4.3 18.6 1.0 C2A B:HEM185 4.3 17.2 1.0 C3D B:HEM185 4.3 19.1 1.0 C2C B:HEM185 4.3 20.7 1.0 C3C B:HEM185 4.3 18.3 1.0 CHB A:HEM185 4.4 14.9 1.0 CG B:HIS83 4.5 13.5 1.0 CB B:HIS83 4.7 16.2 1.0 NE2 B:HIS83 4.7 16.3 1.0 CHA A:HEM185 4.8 16.9 1.0 CD2 B:TYR75 4.9 13.5 1.0 CD1 B:TYR75 4.9 13.1 1.0

G.Jepkorir, J.C.Rodriguez, H.Rui, W.Im, S.Lovell, K.P.Battaile, A.Y.Alontaga, E.T.Yukl, M.Rivera. Structural, uc(Nmr) Spectroscopic, and Computational Investigation of Hemin Loading in the Hemophore Hasap From Pseudomonas Aeruginosa. J.Am.Chem.Soc. V. 132 9857 2010.
ISSN: ISSN 0002-7863
PubMed: 20572666
DOI: 10.1021/JA103498Z