Iron in PDB 1qvs: Crystal Structure of Haemophilus Influenzae H9A Mutant Holo Ferric Ion-Binding Protein A

The structure of Crystal Structure of Haemophilus Influenzae H9A Mutant Holo Ferric Ion-Binding Protein A, PDB code: 1qvs was solved by S.R.Shouldice, R.J.Skene, D.R.Dougan, D.E.Mcree, L.W.Tari, A.B.Schryvers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.02 / 2.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	105.999, 75.656, 33.774, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 22.6

The binding sites of Iron atom in the Crystal Structure of Haemophilus Influenzae H9A Mutant Holo Ferric Ion-Binding Protein A (pdb code 1qvs). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of Haemophilus Influenzae H9A Mutant Holo Ferric Ion-Binding Protein A, PDB code: 1qvs:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Crystal Structure of Haemophilus Influenzae H9A 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 H9A Mutant Holo Ferric Ion-Binding Protein A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:29.6 occ:1.00 OH A:TYR195 1.9 14.9 1.0 O A:HOH801 2.0 27.9 1.0 O3 A:PO4502 2.0 32.4 1.0 O4 A:PO4501 2.5 40.6 1.0 FE A:FE403 2.8 30.7 1.0 O A:HOH722 2.8 19.5 1.0 O3 A:PO4501 2.9 40.7 1.0 P A:PO4502 3.0 29.8 1.0 CZ A:TYR195 3.1 13.9 1.0 O1 A:PO4502 3.2 28.8 1.0 P A:PO4501 3.2 38.3 1.0 O4 A:PO4502 3.4 31.0 1.0 FE A:FE402 3.4 40.3 1.0 CE2 A:TYR195 3.6 13.7 1.0 O2 A:PO4501 3.7 40.1 1.0 O A:HOH620 3.8 22.7 1.0 ND2 A:ASN193 4.1 9.0 1.0 CE1 A:TYR195 4.1 13.1 1.0 O A:HOH650 4.2 21.2 1.0 O A:HOH588 4.3 18.6 1.0 O2 A:PO4502 4.3 30.8 1.0 OH A:TYR196 4.3 19.2 1.0 CE2 A:TYR196 4.3 15.4 1.0 O A:HOH782 4.4 16.3 1.0 O A:HOH511 4.4 17.5 1.0 NH1 A:ARG262 4.5 17.1 1.0 O1 A:PO4501 4.6 38.2 1.0 O A:HOH768 4.7 25.4 1.0 CZ A:TYR196 4.8 16.6 1.0 O A:HOH800 4.9 19.4 1.0 CD2 A:TYR195 4.9 12.6 1.0

Iron binding site 2 out of 3 in the Crystal Structure of Haemophilus Influenzae H9A 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 2 of Crystal Structure of Haemophilus Influenzae H9A Mutant Holo Ferric Ion-Binding Protein A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe402 b:40.3 occ:1.00 O4 A:PO4502 2.0 31.0 1.0 O A:HOH768 2.3 25.4 1.0 O A:HOH722 2.3 19.5 1.0 O A:HOH588 2.4 18.6 1.0 O A:HOH592 3.0 22.8 1.0 O A:HOH798 3.1 31.4 1.0 P A:PO4502 3.2 29.8 1.0 FE A:FE403 3.4 30.7 1.0 FE A:FE401 3.4 29.6 1.0 O3 A:PO4502 3.6 32.4 1.0 O1 A:PO4502 3.7 28.8 1.0 O2 A:PO4501 3.8 40.1 1.0 O A:HOH782 3.8 16.3 1.0 O A:HOH799 4.1 25.2 1.0 O3 A:PO4501 4.1 40.7 1.0 O A:HOH801 4.1 27.9 1.0 O A:HOH751 4.4 26.7 1.0 O2 A:PO4502 4.4 30.8 1.0 P A:PO4501 4.4 38.3 1.0 O A:HOH725 4.5 26.7 1.0 O A:HOH634 4.6 15.7 1.0 O A:HOH620 4.7 22.7 1.0 O4 A:PO4501 4.8 40.6 1.0

Iron binding site 3 out of 3 in the Crystal Structure of Haemophilus Influenzae H9A 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 3 of Crystal Structure of Haemophilus Influenzae H9A Mutant Holo Ferric Ion-Binding Protein A within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe403 b:30.7 occ:1.00 O A:HOH782 1.9 16.3 1.0 OH A:TYR196 2.0 19.2 1.0 O1 A:PO4502 2.2 28.8 1.0 O3 A:PO4501 2.4 40.7 1.0 O A:HOH800 2.4 19.4 1.0 O A:HOH588 2.5 18.6 1.0 FE A:FE401 2.8 29.6 1.0 CZ A:TYR196 3.0 16.6 1.0 P A:PO4502 3.2 29.8 1.0 CE2 A:TYR196 3.3 15.4 1.0 FE A:FE402 3.4 40.3 1.0 O4 A:PO4502 3.5 31.0 1.0 O A:HOH799 3.5 25.2 1.0 O3 A:PO4502 3.5 32.4 1.0 P A:PO4501 3.7 38.3 1.0 OH A:TYR195 3.8 14.9 1.0 O A:HOH634 4.1 15.7 1.0 ND2 A:ASN175 4.1 7.4 1.0 O4 A:PO4501 4.1 40.6 1.0 O A:HOH722 4.2 19.5 1.0 O A:HOH549 4.2 16.8 1.0 O2 A:PO4501 4.2 40.1 1.0 O A:HOH543 4.3 10.6 1.0 CE1 A:TYR196 4.3 17.0 1.0 CE2 A:TYR195 4.5 13.7 1.0 O2 A:PO4502 4.5 30.8 1.0 CZ A:TYR195 4.6 13.9 1.0 O A:HOH801 4.7 27.9 1.0 CD2 A:TYR196 4.7 14.6 1.0 O1 A:PO4501 4.8 38.2 1.0 CB A:ASN175 4.9 10.8 1.0 O A:HOH592 5.0 22.8 1.0

S.R.Shouldice, R.J.Skene, D.R.Dougan, D.E.Mcree, L.W.Tari, A.B.Schryvers. Presence of Ferric Hydroxide Clusters in Mutants of Haemophilus Influenzae Ferric Ion-Binding Protein A Biochemistry V. 42 11908 2003.
ISSN: ISSN 0006-2960
PubMed: 14556621
DOI: 10.1021/BI035389S