Iron in PDB 3lhs: Open Conformation of Htsa Complexed with Staphyloferrin A

The structure of Open Conformation of Htsa Complexed with Staphyloferrin A, PDB code: 3lhs 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)	29.90 / 1.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.564, 43.515, 75.324, 90.00, 100.56, 90.00
R / Rfree (%)	15.4 / 18.6

The binding sites of Iron atom in the Open Conformation of Htsa Complexed with Staphyloferrin A (pdb code 3lhs). 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 Open Conformation of Htsa Complexed with Staphyloferrin A, PDB code: 3lhs:

Iron binding site 1 out of 1 in the Open Conformation of Htsa Complexed with Staphyloferrin A


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Open Conformation of Htsa Complexed with Staphyloferrin A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe500 b:11.9 occ:0.70 O30 A:SF8501 2.1 15.6 1.0 O18 A:SF8501 2.1 20.6 1.0 O19 A:SF8501 2.1 23.9 1.0 O29 A:SF8501 2.1 17.4 1.0 O32 A:SF8501 2.1 14.4 1.0 O22 A:SF8501 2.2 31.0 1.0 C28 A:SF8501 2.8 15.4 1.0 C14 A:SF8501 2.9 14.9 1.0 C20 A:SF8501 2.9 29.9 1.0 C3 A:SF8501 2.9 24.6 1.0 C16 A:SF8501 3.0 14.1 1.0 C1 A:SF8501 3.1 24.4 1.0 C15 A:SF8501 3.4 16.4 1.0 C2 A:SF8501 3.4 24.6 1.0 O31 A:SF8501 4.0 15.8 1.0 O33 A:SF8501 4.1 11.2 1.0 O21 A:SF8501 4.1 29.3 1.0 NE A:ARG304 4.1 12.5 1.0 O17 A:SF8501 4.2 25.5 1.0 N11 A:SF8501 4.2 20.7 1.0 NH2 A:ARG299 4.3 10.9 0.5 NH2 A:ARG104 4.3 11.1 1.0 C13 A:SF8501 4.3 16.6 1.0 C4 A:SF8501 4.3 29.9 1.0 O A:HOH614 4.4 30.5 1.0 NH2 A:ARG126 4.4 14.3 1.0 NH2 A:ARG304 4.5 18.3 1.0 CE1 A:PHE146 4.6 21.9 1.0 NH2 A:ARG299 4.6 16.4 0.5 C5 A:SF8501 4.6 29.4 1.0 O23 A:SF8501 4.7 29.8 1.0 C12 A:SF8501 4.8 17.8 1.0 C9 A:SF8501 4.8 29.1 1.0 CZ A:ARG304 4.8 13.7 1.0

J.C.Grigg, J.D.Cooper, J.Cheung, D.E.Heinrichs, M.E.Murphy. The Staphylococcus Aureus Siderophore Receptor Htsa Undergoes Localized Conformational Changes to Enclose Staphyloferrin A in An Arginine-Rich Binding Pocket. J.Biol.Chem. V. 285 11162 2010.
ISSN: ISSN 0021-9258
PubMed: 20147287
DOI: 10.1074/JBC.M109.097865