Iron in PDB 3w8m: Crystal Structure of Hasap with Iron Salophen

The structure of Crystal Structure of Hasap with Iron Salophen, PDB code: 3w8m was solved by C.Shirataki, O.Shoji, H.Sugimoto, Y.Shiro, Y.Watanabe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.63 / 1.46
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	98.212, 98.212, 32.662, 90.00, 90.00, 120.00
R / Rfree (%)	18.2 / 20.6

The binding sites of Iron atom in the Crystal Structure of Hasap with Iron Salophen (pdb code 3w8m). 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 Hasap with Iron Salophen, PDB code: 3w8m:

Iron binding site 1 out of 1 in the Crystal Structure of Hasap with Iron Salophen


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 Hasap with Iron Salophen within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:12.5 occ:1.00 FE A:YOM201 0.0 12.5 1.0 OA A:YOM201 1.9 17.0 1.0 OB A:YOM201 2.0 12.3 1.0 NA A:YOM201 2.1 13.2 1.0 OH A:TYR75 2.1 12.4 1.0 NB A:YOM201 2.2 12.8 1.0 NE2 A:HIS32 2.3 12.2 1.0 CC1 A:YOM201 3.0 13.1 1.0 CA2 A:YOM201 3.0 16.7 1.0 CC2 A:YOM201 3.0 12.9 1.0 CA A:YOM201 3.0 15.0 1.0 CB2 A:YOM201 3.0 12.9 1.0 CZ A:TYR75 3.1 11.3 1.0 CB A:YOM201 3.1 13.2 1.0 CE1 A:HIS32 3.2 12.3 1.0 CD2 A:HIS32 3.3 12.3 1.0 CA1 A:YOM201 3.4 16.5 1.0 CB1 A:YOM201 3.4 13.5 1.0 CE1 A:TYR75 3.8 10.9 1.0 CE2 A:TYR75 3.8 11.3 1.0 O A:HOH384 3.9 26.6 1.0 ND1 A:HIS83 3.9 14.6 1.0 CA3 A:YOM201 4.2 18.1 1.0 CB3 A:YOM201 4.3 14.1 1.0 CC6 A:YOM201 4.3 13.4 1.0 ND1 A:HIS32 4.3 12.8 1.0 CC3 A:YOM201 4.4 13.5 1.0 CG A:HIS32 4.4 12.5 1.0 CG A:HIS83 4.6 13.7 1.0 CB A:HIS83 4.6 12.5 1.0 CE1 A:HIS83 4.7 15.8 1.0 CA6 A:YOM201 4.8 18.2 1.0 CG2 A:VAL37 4.8 12.7 1.0 CB6 A:YOM201 4.8 14.1 1.0 CG1 A:VAL37 5.0 12.4 1.0 CD1 A:TYR75 5.0 11.3 1.0

C.Shirataki, O.Shoji, M.Terada, S.Ozaki, H.Sugimoto, Y.Shiro, Y.Watanabe. Inhibition of Heme Uptake in Pseudomonas Aeruginosa By Its Hemophore (Hasap ) Bound to Synthetic Metal Complexes Angew.Chem.Int.Ed.Engl. V. 53 2862 2014.
ISSN: ISSN 1433-7851
PubMed: 24604808
DOI: 10.1002/ANIE.201307889