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: Sat Aug 3 13:54:08 2024
|