Iron in PDB 7me3: Yfea Oligomer Crystal 3, Form 2

The structure of Yfea Oligomer Crystal 3, Form 2, PDB code: 7me3 was solved by C.D.Radka, S.G.Aller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.45 / 2.25
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.09, 75.85, 106.55, 90, 90, 90
R / Rfree (%)	16.6 / 21.8

The structure of Yfea Oligomer Crystal 3, Form 2 also contains other interesting chemical elements:

Zinc	(Zn)	3 atoms
Manganese	(Mn)	3 atoms

The binding sites of Iron atom in the Yfea Oligomer Crystal 3, Form 2 (pdb code 7me3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Yfea Oligomer Crystal 3, Form 2, PDB code: 7me3:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Yfea Oligomer Crystal 3, Form 2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Yfea Oligomer Crystal 3, Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:4.6 occ:0.38 MN A:MN402 0.3 4.5 0.1 ZN A:ZN403 0.5 3.7 0.5 NE2 A:HIS76 1.9 6.3 1.0 NE2 A:HIS141 2.0 6.1 1.0 OE1 A:GLU207 2.3 5.8 1.0 OD2 A:ASP282 2.4 10.3 1.0 OD1 A:ASP282 2.4 6.6 1.0 OE2 A:GLU207 2.7 8.8 1.0 CG A:ASP282 2.7 8.2 1.0 CE1 A:HIS76 2.8 6.3 1.0 CD A:GLU207 2.8 8.8 1.0 CD2 A:HIS141 3.0 5.8 1.0 CE1 A:HIS141 3.0 6.3 1.0 CD2 A:HIS76 3.1 6.9 1.0 ND1 A:HIS76 3.9 6.6 1.0 ND2 A:ASN228 4.1 11.5 1.0 CG A:HIS76 4.1 7.4 1.0 ND1 A:HIS141 4.1 6.2 1.0 CG A:HIS141 4.1 5.8 1.0 O A:HOH546 4.2 14.6 1.0 CB A:ASP282 4.3 7.7 1.0 CG A:GLU207 4.3 8.2 1.0 CB A:ALA209 4.4 7.5 1.0 O A:HOH513 4.4 15.9 1.0 CG A:ASN228 4.5 9.6 1.0 CD1 A:LEU101 4.9 6.4 1.0 CB A:ASN228 4.9 8.2 1.0 OD1 A:ASN228 5.0 12.4 1.0

Iron binding site 2 out of 2 in the Yfea Oligomer Crystal 3, Form 2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Yfea Oligomer Crystal 3, Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe401 b:4.9 occ:0.17 MN B:MN402 0.2 5.2 0.1 ZN B:ZN403 0.6 6.4 0.7 NE2 B:HIS76 2.0 6.8 1.0 NE2 B:HIS141 2.0 6.3 1.0 OD2 B:ASP282 2.2 8.8 1.0 OD1 B:ASP282 2.5 8.0 1.0 OE1 B:GLU207 2.5 9.1 1.0 CG B:ASP282 2.7 9.6 1.0 OE2 B:GLU207 2.8 13.1 1.0 CE1 B:HIS76 2.9 9.2 1.0 CD2 B:HIS141 2.9 5.9 1.0 CD B:GLU207 3.0 13.5 1.0 CE1 B:HIS141 3.0 7.1 1.0 CD2 B:HIS76 3.0 7.2 1.0 ND2 B:ASN228 3.9 16.5 1.0 ND1 B:HIS76 4.0 9.0 1.0 CG B:HIS141 4.1 9.5 1.0 ND1 B:HIS141 4.1 6.3 1.0 CG B:HIS76 4.1 10.1 1.0 CB B:ASP282 4.2 6.2 1.0 CB B:ALA209 4.3 7.1 1.0 CG B:GLU207 4.5 9.5 1.0 O B:HOH514 4.5 10.9 1.0 O B:HOH518 4.6 14.7 1.0 CG B:ASN228 4.6 16.9 1.0 CD1 B:LEU101 4.7 9.5 1.0

C.D.Radka, S.G.Aller. Yersinia Pestis Substrate-Binding Protein Yfea Site 2 Is A Dynamic and Polyspecific Surface Metal Binding Site To Be Published.