Iron in PDB 3mwf: Crystal Structure of Staphylococcus Aureus Sira Complexed with Staphyloferrin B

The structure of Crystal Structure of Staphylococcus Aureus Sira Complexed with Staphyloferrin B, PDB code: 3mwf was solved by J.C.Grigg, M.E.P.Murphy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.37 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.719, 71.588, 72.568, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 20.6

The binding sites of Iron atom in the Crystal Structure of Staphylococcus Aureus Sira Complexed with Staphyloferrin B (pdb code 3mwf). 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 Staphylococcus Aureus Sira Complexed with Staphyloferrin B, PDB code: 3mwf:

Iron binding site 1 out of 1 in the Crystal Structure of Staphylococcus Aureus Sira Complexed with Staphyloferrin B


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 Staphylococcus Aureus Sira Complexed with Staphyloferrin B within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe2 b:12.7 occ:1.00 O26 A:SE81 2.0 13.1 1.0 O29 A:SE81 2.1 16.9 1.0 O20 A:SE81 2.1 13.7 1.0 O25 A:SE81 2.1 12.8 1.0 O30 A:SE81 2.1 16.4 1.0 N21 A:SE81 2.2 13.8 1.0 C17 A:SE81 2.7 23.0 1.0 C18 A:SE81 2.8 22.6 1.0 C23 A:SE81 2.9 13.2 1.0 C1 A:SE81 2.9 15.3 1.0 C7 A:SE81 3.0 13.8 1.0 C2 A:SE81 3.1 15.2 1.0 N4 A:SE81 3.4 12.7 1.0 C5 A:SE81 3.5 14.4 1.0 N10 A:SE81 3.7 12.4 1.0 C3 A:SE81 3.8 12.6 1.0 C6 A:SE81 3.8 12.2 1.0 NH1 A:ARG125 4.0 15.0 1.0 O22 A:SE81 4.0 14.0 1.0 O31 A:SE81 4.0 27.3 1.0 NH2 A:ARG125 4.0 10.7 1.0 C16 A:SE81 4.1 27.5 1.0 O24 A:SE81 4.1 13.2 1.0 O19 A:SE81 4.2 14.7 1.0 C8 A:SE81 4.2 12.4 1.0 NH1 A:ARG206 4.2 11.1 1.0 C9 A:SE81 4.4 12.9 1.0 CZ A:ARG125 4.5 12.3 1.0 NH2 A:ARG206 4.6 16.0 1.0 O A:HOH345 4.7 21.9 1.0 C11 A:SE81 4.7 16.5 1.0 CZ A:ARG206 4.9 13.4 1.0

J.C.Grigg, J.Cheung, D.E.Heinrichs, M.E.Murphy. Staphylococcus Aureus Sira Specificity For Staphyloferrin B Is Driven By Localized Conformational Change To Be Published.