Iron in PDB 3kn8: Crystal Structure of Haemophilus Influenzae Y196A Mutant Holo Ferric Ion-Binding Protein A

The structure of Crystal Structure of Haemophilus Influenzae Y196A Mutant Holo Ferric Ion-Binding Protein A, PDB code: 3kn8 was solved by S.R.Shouldice, A.B.Schryvers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.00 / 1.89
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	106.025, 75.573, 33.103, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 23.5

The binding sites of Iron atom in the Crystal Structure of Haemophilus Influenzae Y196A Mutant Holo Ferric Ion-Binding Protein A (pdb code 3kn8). 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 Haemophilus Influenzae Y196A Mutant Holo Ferric Ion-Binding Protein A, PDB code: 3kn8:

Iron binding site 1 out of 1 in the Crystal Structure of Haemophilus Influenzae Y196A Mutant Holo Ferric Ion-Binding Protein A


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 Haemophilus Influenzae Y196A Mutant Holo Ferric Ion-Binding Protein A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe310 b:44.6 occ:1.00 O2 A:PO4311 2.0 47.5 1.0 O A:HOH363 2.3 23.0 1.0 O A:HOH440 2.7 39.6 1.0 P A:PO4311 3.2 47.4 1.0 OH A:TYR195 3.4 32.1 1.0 O A:HOH474 3.4 38.0 1.0 O3 A:PO4311 3.4 49.9 1.0 ND2 A:ASN175 3.7 19.3 1.0 O A:HOH407 3.7 33.8 1.0 CE2 A:TYR195 4.0 28.8 1.0 O A:HOH401 4.0 43.1 1.0 O A:HOH402 4.1 24.1 1.0 CZ A:TYR195 4.1 29.1 1.0 O1 A:PO4311 4.2 49.2 1.0 O A:HOH352 4.2 22.9 1.0 O4 A:PO4311 4.2 50.3 1.0 ND2 A:ASN193 4.4 14.9 1.0 O A:HOH464 4.5 36.9 1.0 O A:HOH455 4.7 36.0 1.0 CG A:ASN175 4.8 19.3 1.0

H.K.Khambati, T.F.Moraes, J.Singh, S.R.Shouldice, R.H.Yu, A.B.Schryvers. The Role of Vicinal Tyrosine Residues in the Function of Haemophilus Influenzae Ferric Binding Protein A. Biochem.J. 2010.
ISSN: ESSN 1470-8728
PubMed: 20799927
DOI: 10.1042/BJ20101043