Atomistry » Iron » PDB 1qov-1ra5 » 1qw0
Atomistry »
  Iron »
    PDB 1qov-1ra5 »
      1qw0 »

Iron in PDB 1qw0: Crystal Structure of Haemophilus Influenzae N175L Mutant Holo Ferric Ion-Binding Protein A

Protein crystallography data

The structure of Crystal Structure of Haemophilus Influenzae N175L Mutant Holo Ferric Ion-Binding Protein A, PDB code: 1qw0 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 / 1.90
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 105.850, 76.037, 34.067, 90.00, 90.00, 90.00
R / Rfree (%) 22 / 27.1

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Haemophilus Influenzae N175L Mutant Holo Ferric Ion-Binding Protein A (pdb code 1qw0). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Haemophilus Influenzae N175L Mutant Holo Ferric Ion-Binding Protein A, PDB code: 1qw0:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in 1qw0

Go back to Iron Binding Sites List in 1qw0
Iron binding site 1 out of 4 in the Crystal Structure of Haemophilus Influenzae N175L 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 N175L Mutant Holo Ferric Ion-Binding Protein A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:30.2
occ:1.00
 OH A:TYR196 1.8 27.6 1.0
O4 A:PO4501 1.9 27.0 1.0
O A:HOH690 2.3 21.8 1.0
O A:HOH612 2.4 30.5 1.0
O A:HOH671 2.4 29.5 1.0
O A:HOH697 2.5 36.2 1.0
CZ A:TYR196 3.0 24.2 1.0
P A:PO4501 3.0 28.0 1.0
O1 A:PO4501 3.3 26.2 1.0
FE A:FE403 3.4 38.5 1.0
CE2 A:TYR196 3.5 22.3 1.0
O3 A:PO4501 3.6 27.7 1.0
FE A:FE404 3.6 59.8 1.0
FE A:FE402 3.6 24.1 1.0
O A:HOH548 3.8 24.8 1.0
CE1 A:TYR196 4.1 24.3 1.0
O A:HOH676 4.2 17.2 1.0
O2 A:PO4501 4.3 26.0 1.0
O A:HOH540 4.3 23.0 1.0
O A:HOH673 4.5 29.1 1.0
O A:HOH549 4.5 27.2 1.0
OH A:TYR195 4.8 16.0 1.0
CD2 A:TYR196 4.8 21.3 1.0
CE2 A:TYR195 4.9 15.9 1.0

Iron binding site 2 out of 4 in 1qw0

Go back to Iron Binding Sites List in 1qw0
Iron binding site 2 out of 4 in the Crystal Structure of Haemophilus Influenzae N175L 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 N175L Mutant Holo Ferric Ion-Binding Protein A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe402

b:24.1
occ:1.00
 O1 A:PO4501 1.9 26.2 1.0
OH A:TYR195 2.0 16.0 1.0
O A:HOH692 2.0 31.0 1.0
O A:HOH697 2.0 36.2 1.0
O A:HOH676 2.1 17.2 1.0
FE A:FE404 2.8 59.8 1.0
O A:HOH588 2.8 29.3 1.0
CZ A:TYR195 3.1 16.0 1.0
P A:PO4501 3.2 28.0 1.0
O A:HOH694 3.3 41.8 1.0
FE A:FE403 3.5 38.5 1.0
CE2 A:TYR195 3.6 15.9 1.0
O3 A:PO4501 3.6 27.7 1.0
FE A:FE401 3.6 30.2 1.0
O4 A:PO4501 3.7 27.0 1.0
ND2 A:ASN193 4.0 13.1 1.0
O A:HOH601 4.0 29.8 1.0
CE1 A:TYR195 4.2 14.6 1.0
NH1 A:ARG262 4.2 25.8 1.0
O2 A:PO4501 4.4 26.0 1.0
CE2 A:TYR196 4.4 22.3 1.0
O A:HOH592 4.4 22.9 1.0
O A:HOH549 4.5 27.2 1.0
O A:HOH671 4.5 29.5 1.0
O A:HOH696 4.7 36.1 1.0
OH A:TYR196 4.8 27.6 1.0
O A:HOH690 4.8 21.8 1.0
CD1 A:LEU175 4.9 20.4 1.0
CD2 A:TYR195 5.0 15.9 1.0
O A:HOH691 5.0 36.9 1.0

Iron binding site 3 out of 4 in 1qw0

Go back to Iron Binding Sites List in 1qw0
Iron binding site 3 out of 4 in the Crystal Structure of Haemophilus Influenzae N175L 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 N175L Mutant Holo Ferric Ion-Binding Protein A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe403

b:38.5
occ:1.00
 O3 A:PO4501 2.1 27.7 1.0
O A:HOH676 2.2 17.2 1.0
O A:HOH549 2.3 27.2 1.0
O A:HOH673 2.4 29.1 1.0
O A:HOH671 2.5 29.5 1.0
O A:HOH696 2.6 36.1 1.0
FE A:FE404 2.6 59.8 1.0
P A:PO4501 3.1 28.0 1.0
FE A:FE401 3.4 30.2 1.0
O1 A:PO4501 3.4 26.2 1.0
O4 A:PO4501 3.5 27.0 1.0
FE A:FE402 3.5 24.1 1.0
O A:HOH697 3.7 36.2 1.0
O A:HOH691 4.0 36.9 1.0
O A:HOH694 4.0 41.8 1.0
O2 A:PO4501 4.4 26.0 1.0
O A:HOH612 4.5 30.5 1.0
O A:HOH692 4.7 31.0 1.0
O A:HOH588 4.7 29.3 1.0
O A:HOH690 4.8 21.8 1.0

Iron binding site 4 out of 4 in 1qw0

Go back to Iron Binding Sites List in 1qw0
Iron binding site 4 out of 4 in the Crystal Structure of Haemophilus Influenzae N175L 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 4 of Crystal Structure of Haemophilus Influenzae N175L Mutant Holo Ferric Ion-Binding Protein A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe404

b:59.8
occ:1.00
 O A:HOH676 1.9 17.2 1.0
O A:HOH549 2.0 27.2 1.0
O A:HOH697 2.3 36.2 1.0
O A:HOH588 2.4 29.3 1.0
FE A:FE403 2.6 38.5 1.0
O A:HOH691 2.6 36.9 1.0
FE A:FE402 2.8 24.1 1.0
O A:HOH671 2.9 29.5 1.0
O A:HOH694 3.0 41.8 1.0
FE A:FE401 3.6 30.2 1.0
O A:HOH690 3.8 21.8 1.0
O A:HOH696 4.0 36.1 1.0
O1 A:PO4501 4.0 26.2 1.0
O3 A:PO4501 4.2 27.7 1.0
O A:HOH692 4.2 31.0 1.0
CB A:SER139 4.3 23.9 1.0
O A:HOH540 4.4 23.0 1.0
P A:PO4501 4.5 28.0 1.0
OH A:TYR195 4.5 16.0 1.0
N A:GLY140 4.5 22.7 1.0
O A:HOH673 4.5 29.1 1.0
O4 A:PO4501 4.5 27.0 1.0
OG A:SER139 4.8 22.7 1.0
CA A:SER139 4.8 23.6 1.0
CD1 A:LEU175 4.9 20.4 1.0

Reference:

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
Page generated: Wed Jul 16 20:08:44 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy