Iron in PDB 3odb: Haemophilus Influenzae Ferric Binding Protein A -Iron Loaded -Open Conformation

The structure of Haemophilus Influenzae Ferric Binding Protein A -Iron Loaded -Open Conformation, PDB code: 3odb was solved by H.K.Khambati, T.F.Moraes, J.Singh, S.R.Shouldice, R.H.Yu, A.B.Schryvers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.62
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	106.200, 75.577, 33.960, 90.00, 90.00, 90.00
R / Rfree (%)	20.2 / 25.2

The binding sites of Iron atom in the Haemophilus Influenzae Ferric Binding Protein A -Iron Loaded -Open Conformation (pdb code 3odb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Haemophilus Influenzae Ferric Binding Protein A -Iron Loaded -Open Conformation, PDB code: 3odb:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Haemophilus Influenzae Ferric Binding Protein A -Iron Loaded -Open Conformation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Haemophilus Influenzae Ferric Binding Protein A -Iron Loaded -Open Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe310 b:32.2 occ:1.00 OH A:TYR195 2.1 20.8 1.0 OH A:TYR196 2.1 29.6 1.0 FE A:FE311 3.1 39.0 1.0 CZ A:TYR196 3.2 25.8 1.0 CZ A:TYR195 3.2 17.9 1.0 FE A:FE312 3.5 46.8 1.0 CE2 A:TYR195 3.6 17.7 1.0 CE2 A:TYR196 3.6 21.7 1.0 ND2 A:ASN193 4.0 12.4 1.0 ND2 A:ASN175 4.2 22.3 1.0 CE1 A:TYR196 4.3 23.3 1.0 CE1 A:TYR195 4.4 12.1 1.0 CD2 A:TYR196 4.9 18.2 1.0

Iron binding site 2 out of 3 in the Haemophilus Influenzae Ferric Binding Protein A -Iron Loaded -Open Conformation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Haemophilus Influenzae Ferric Binding Protein A -Iron Loaded -Open Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe311 b:39.0 occ:1.00 OH A:TYR196 2.3 29.6 1.0 FE A:FE310 3.1 32.2 1.0 CZ A:TYR196 3.2 25.8 1.0 O A:HOH489 3.3 24.6 1.0 CE1 A:TYR196 3.4 23.3 1.0 FE A:FE312 3.5 46.8 1.0 CE2 A:TYR196 4.5 21.7 1.0 CD1 A:TYR196 4.8 19.6 1.0 ND2 A:ASN175 4.9 22.3 1.0 OH A:TYR195 4.9 20.8 1.0

Iron binding site 3 out of 3 in the Haemophilus Influenzae Ferric Binding Protein A -Iron Loaded -Open Conformation


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Haemophilus Influenzae Ferric Binding Protein A -Iron Loaded -Open Conformation within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe312 b:46.8 occ:1.00 FE A:FE311 3.5 39.0 1.0 FE A:FE310 3.5 32.2 1.0 OH A:TYR196 4.3 29.6 1.0 NH2 A:ARG262 4.3 28.2 1.0 CD2 A:HIS9 4.5 33.7 1.0 OH A:TYR195 4.6 20.8 1.0 CE2 A:TYR195 4.6 17.7 1.0 NH1 A:ARG262 4.8 29.2 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