Iron in PDB 1os7: Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5
Enzymatic activity of Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5
All present enzymatic activity of Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5:
1.14.11.17;
Protein crystallography data
The structure of Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5, PDB code: 1os7
was solved by
J.R.O'brien,
D.J.Schuller,
V.S.Yang,
B.D.Dillard,
W.N.Lanzilotta,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
38.00 /
2.50
|
Space group
|
P 21 21 21
|
Cell size a, b, c (Å), α, β, γ (°)
|
92.594,
118.855,
118.832,
90.00,
90.00,
90.00
|
R / Rfree (%)
|
22.4 /
27.8
|
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5
(pdb code 1os7). 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 Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5, PDB code: 1os7:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 1os7
Go back to
Iron Binding Sites List in 1os7
Iron binding site 1 out
of 4 in the Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5
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 Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe302
b:61.7
occ:1.00
|
O1
|
A:AKG501
|
1.7
|
69.3
|
1.0
|
OD1
|
A:ASP101
|
2.3
|
39.0
|
1.0
|
O5
|
A:AKG501
|
2.4
|
65.3
|
1.0
|
NE2
|
A:HIS255
|
2.5
|
27.1
|
1.0
|
C1
|
A:AKG501
|
2.6
|
66.8
|
1.0
|
NE2
|
A:HIS99
|
2.8
|
39.5
|
1.0
|
C2
|
A:AKG501
|
2.9
|
66.1
|
1.0
|
CD2
|
A:HIS255
|
3.1
|
26.5
|
1.0
|
CG
|
A:ASP101
|
3.4
|
40.3
|
1.0
|
CD2
|
A:HIS99
|
3.4
|
37.4
|
1.0
|
CE1
|
A:HIS255
|
3.7
|
28.2
|
1.0
|
OD1
|
A:ASN95
|
3.7
|
42.4
|
1.0
|
O2
|
A:AKG501
|
3.7
|
70.0
|
1.0
|
OD2
|
A:ASP101
|
3.7
|
44.4
|
1.0
|
CE1
|
A:HIS99
|
3.9
|
38.3
|
1.0
|
NH1
|
A:ARG270
|
3.9
|
53.0
|
1.0
|
C3
|
A:AKG501
|
4.3
|
63.5
|
1.0
|
CG
|
A:HIS255
|
4.4
|
28.1
|
1.0
|
C2
|
A:TAU401
|
4.4
|
50.3
|
1.0
|
CG
|
A:ASN95
|
4.5
|
43.1
|
1.0
|
ND1
|
A:HIS255
|
4.6
|
27.2
|
1.0
|
CG
|
A:HIS99
|
4.7
|
37.9
|
1.0
|
CB
|
A:ASP101
|
4.7
|
37.5
|
1.0
|
O1
|
A:TAU401
|
4.7
|
51.8
|
1.0
|
CZ2
|
A:TRP248
|
4.8
|
48.1
|
1.0
|
O2
|
A:TAU401
|
4.8
|
49.8
|
1.0
|
CZ
|
A:ARG270
|
4.9
|
54.9
|
1.0
|
ND1
|
A:HIS99
|
4.9
|
39.4
|
1.0
|
S
|
A:TAU401
|
4.9
|
49.2
|
1.0
|
|
Iron binding site 2 out
of 4 in 1os7
Go back to
Iron Binding Sites List in 1os7
Iron binding site 2 out
of 4 in the Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5
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 Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe302
b:96.0
occ:1.00
|
O1
|
B:AKG502
|
2.1
|
71.4
|
1.0
|
OD1
|
B:ASP101
|
2.3
|
46.7
|
1.0
|
NE2
|
B:HIS255
|
2.5
|
38.2
|
1.0
|
O5
|
B:AKG502
|
2.5
|
68.2
|
1.0
|
NE2
|
B:HIS99
|
2.6
|
49.8
|
1.0
|
C1
|
B:AKG502
|
2.9
|
69.6
|
1.0
|
CD2
|
B:HIS255
|
2.9
|
37.8
|
1.0
|
C2
|
B:AKG502
|
3.1
|
69.1
|
1.0
|
CE1
|
B:HIS99
|
3.3
|
49.6
|
1.0
|
CG
|
B:ASP101
|
3.5
|
50.9
|
1.0
|
CD2
|
B:HIS99
|
3.6
|
49.5
|
1.0
|
CE1
|
B:HIS255
|
3.7
|
36.7
|
1.0
|
NH1
|
B:ARG270
|
3.8
|
66.1
|
1.0
|
OD1
|
B:ASN95
|
3.9
|
49.1
|
1.0
|
O2
|
B:AKG502
|
4.0
|
69.3
|
1.0
|
OD2
|
B:ASP101
|
4.1
|
52.1
|
1.0
|
CG
|
B:HIS255
|
4.2
|
38.1
|
1.0
|
O1
|
B:TAU402
|
4.2
|
57.5
|
1.0
|
C1
|
B:TAU402
|
4.3
|
54.5
|
1.0
|
ND1
|
B:HIS99
|
4.4
|
50.2
|
1.0
|
C3
|
B:AKG502
|
4.5
|
68.7
|
1.0
|
ND1
|
B:HIS255
|
4.5
|
36.8
|
1.0
|
CB
|
B:ASP101
|
4.6
|
50.3
|
1.0
|
CG
|
B:HIS99
|
4.6
|
49.7
|
1.0
|
C2
|
B:TAU402
|
4.6
|
55.7
|
1.0
|
CG
|
B:ASN95
|
4.7
|
50.5
|
1.0
|
CA
|
B:ASP101
|
4.8
|
52.0
|
1.0
|
N
|
B:ASP101
|
4.8
|
52.2
|
1.0
|
CZ2
|
B:TRP248
|
4.9
|
54.4
|
1.0
|
|
Iron binding site 3 out
of 4 in 1os7
Go back to
Iron Binding Sites List in 1os7
Iron binding site 3 out
of 4 in the Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5
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 Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe302
b:49.2
occ:1.00
|
O1
|
C:AKG503
|
1.9
|
36.9
|
1.0
|
OD1
|
C:ASP101
|
2.0
|
29.4
|
1.0
|
NE2
|
C:HIS255
|
2.3
|
30.3
|
1.0
|
NE2
|
C:HIS99
|
2.5
|
25.2
|
1.0
|
O5
|
C:AKG503
|
2.5
|
28.0
|
1.0
|
C1
|
C:AKG503
|
2.7
|
33.4
|
1.0
|
C2
|
C:AKG503
|
3.0
|
32.2
|
1.0
|
CG
|
C:ASP101
|
3.0
|
27.9
|
1.0
|
CD2
|
C:HIS255
|
3.1
|
27.7
|
1.0
|
CD2
|
C:HIS99
|
3.2
|
24.1
|
1.0
|
OD2
|
C:ASP101
|
3.3
|
31.0
|
1.0
|
CE1
|
C:HIS255
|
3.3
|
29.2
|
1.0
|
CE1
|
C:HIS99
|
3.6
|
24.4
|
1.0
|
O2
|
C:AKG503
|
3.9
|
40.1
|
1.0
|
NH1
|
C:ARG270
|
3.9
|
32.2
|
1.0
|
OD1
|
C:ASN95
|
4.2
|
35.4
|
1.0
|
CG
|
C:HIS255
|
4.2
|
26.7
|
1.0
|
ND1
|
C:HIS255
|
4.3
|
26.4
|
1.0
|
CB
|
C:ASP101
|
4.4
|
28.2
|
1.0
|
CG
|
C:HIS99
|
4.4
|
25.0
|
1.0
|
C3
|
C:AKG503
|
4.4
|
29.8
|
1.0
|
C2
|
C:TAU403
|
4.5
|
34.9
|
1.0
|
ND1
|
C:HIS99
|
4.6
|
28.0
|
1.0
|
CG
|
C:ASN95
|
4.6
|
36.5
|
1.0
|
O2
|
C:TAU403
|
4.7
|
34.9
|
1.0
|
CZ2
|
C:TRP248
|
4.8
|
22.4
|
1.0
|
CA
|
C:ASP101
|
4.8
|
27.6
|
1.0
|
O1
|
C:TAU403
|
4.8
|
33.3
|
1.0
|
N
|
C:ASP101
|
4.9
|
27.3
|
1.0
|
CZ
|
C:ARG270
|
5.0
|
32.9
|
1.0
|
|
Iron binding site 4 out
of 4 in 1os7
Go back to
Iron Binding Sites List in 1os7
Iron binding site 4 out
of 4 in the Crystal Structure of Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5
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 Taud with Iron, Alpha-Ketoglutarate and Taurine Bound at pH 7.5 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe302
b:53.5
occ:1.00
|
O1
|
D:AKG504
|
2.0
|
35.8
|
1.0
|
NE2
|
D:HIS99
|
2.3
|
24.9
|
1.0
|
OD1
|
D:ASP101
|
2.4
|
28.4
|
1.0
|
NE2
|
D:HIS255
|
2.4
|
25.3
|
1.0
|
O5
|
D:AKG504
|
2.5
|
32.9
|
1.0
|
C1
|
D:AKG504
|
2.8
|
34.3
|
1.0
|
C2
|
D:AKG504
|
3.0
|
33.1
|
1.0
|
CD2
|
D:HIS99
|
3.2
|
25.6
|
1.0
|
CE1
|
D:HIS99
|
3.2
|
24.5
|
1.0
|
CG
|
D:ASP101
|
3.3
|
24.4
|
1.0
|
CE1
|
D:HIS255
|
3.3
|
25.6
|
1.0
|
CD2
|
D:HIS255
|
3.3
|
22.0
|
1.0
|
OD2
|
D:ASP101
|
3.5
|
22.0
|
1.0
|
O2
|
D:AKG504
|
4.0
|
35.5
|
1.0
|
NH1
|
D:ARG270
|
4.2
|
39.3
|
1.0
|
OD1
|
D:ASN95
|
4.3
|
29.0
|
1.0
|
ND1
|
D:HIS99
|
4.3
|
25.2
|
1.0
|
CG
|
D:HIS99
|
4.4
|
25.1
|
1.0
|
ND1
|
D:HIS255
|
4.4
|
22.2
|
1.0
|
CG
|
D:HIS255
|
4.4
|
21.1
|
1.0
|
C3
|
D:AKG504
|
4.5
|
31.6
|
1.0
|
CB
|
D:ASP101
|
4.6
|
25.8
|
1.0
|
CG
|
D:ASN95
|
4.6
|
31.1
|
1.0
|
CA
|
D:ASP101
|
4.9
|
25.7
|
1.0
|
|
Reference:
J.R.O'brien,
D.J.Schuller,
V.S.Yang,
B.D.Dillard,
W.N.Lanzilotta.
Substrate-Induced Conformational Changes in Escherichia Coli Taurine/Alpha-Ketoglutarate Dioxygenase and Insight Into the Oligomeric Structure Biochemistry V. 42 5547 2003.
ISSN: ISSN 0006-2960
PubMed: 12741810
DOI: 10.1021/BI0341096
Page generated: Sat Aug 3 12:40:54 2024
|