Iron in PDB 7rk0: Crystal Structure of Thermovibrio Ammonificans THI4
Enzymatic activity of Crystal Structure of Thermovibrio Ammonificans THI4
All present enzymatic activity of Crystal Structure of Thermovibrio Ammonificans THI4:
2.4.2.59;
Protein crystallography data
The structure of Crystal Structure of Thermovibrio Ammonificans THI4, PDB code: 7rk0
was solved by
Q.Li,
S.D.Bruner,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
44.84 /
2.28
|
Space group
|
I 1 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
89.889,
89.685,
131.813,
90,
96.98,
90
|
R / Rfree (%)
|
21.8 /
27.7
|
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure of Thermovibrio Ammonificans THI4
(pdb code 7rk0). 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 Thermovibrio Ammonificans THI4, PDB code: 7rk0:
Jump to Iron binding site number:
1;
2;
3;
4;
Iron binding site 1 out
of 4 in 7rk0
Go back to
Iron Binding Sites List in 7rk0
Iron binding site 1 out
of 4 in the Crystal Structure of Thermovibrio Ammonificans THI4
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 Thermovibrio Ammonificans THI4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe301
b:55.7
occ:1.00
|
O8
|
A:48H302
|
2.0
|
53.6
|
1.0
|
N1
|
A:48H302
|
2.2
|
58.6
|
1.0
|
OD1
|
B:ASP160
|
2.2
|
60.6
|
1.0
|
NE2
|
A:HIS175
|
2.3
|
61.2
|
1.0
|
O10
|
A:48H302
|
2.5
|
63.4
|
1.0
|
C8
|
A:48H302
|
2.8
|
54.1
|
1.0
|
C9
|
A:48H302
|
2.8
|
56.1
|
1.0
|
O
|
A:HOH410
|
3.0
|
41.8
|
1.0
|
CE1
|
A:HIS175
|
3.2
|
61.6
|
1.0
|
C11
|
A:48H302
|
3.3
|
56.1
|
1.0
|
C12
|
A:48H302
|
3.3
|
59.6
|
1.0
|
CD2
|
A:HIS175
|
3.3
|
60.2
|
1.0
|
CG
|
B:ASP160
|
3.4
|
57.1
|
1.0
|
OD2
|
B:ASP160
|
4.0
|
61.6
|
1.0
|
C7
|
A:48H302
|
4.2
|
50.4
|
1.0
|
C10
|
A:48H302
|
4.3
|
50.7
|
1.0
|
ND1
|
A:HIS175
|
4.4
|
63.7
|
1.0
|
CG
|
A:HIS175
|
4.4
|
60.5
|
1.0
|
CB
|
B:ASP160
|
4.5
|
47.7
|
1.0
|
O9
|
A:48H302
|
4.5
|
54.3
|
1.0
|
NH2
|
A:ARG239
|
4.6
|
47.3
|
1.0
|
CD
|
B:PRO161
|
4.6
|
47.7
|
1.0
|
CA
|
B:ASP160
|
4.7
|
50.3
|
1.0
|
O7
|
A:48H302
|
4.7
|
50.0
|
1.0
|
C6
|
A:48H302
|
4.9
|
39.5
|
1.0
|
|
Iron binding site 2 out
of 4 in 7rk0
Go back to
Iron Binding Sites List in 7rk0
Iron binding site 2 out
of 4 in the Crystal Structure of Thermovibrio Ammonificans THI4
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 Thermovibrio Ammonificans THI4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe301
b:51.7
occ:1.00
|
N1
|
B:48H302
|
2.1
|
52.3
|
1.0
|
O9
|
B:48H302
|
2.3
|
53.5
|
1.0
|
NE2
|
B:HIS175
|
2.4
|
51.6
|
1.0
|
O8
|
B:48H302
|
2.5
|
55.7
|
1.0
|
C9
|
B:48H302
|
2.8
|
50.3
|
1.0
|
C8
|
B:48H302
|
3.0
|
54.2
|
1.0
|
C12
|
B:48H302
|
3.0
|
53.7
|
1.0
|
C11
|
B:48H302
|
3.0
|
51.9
|
1.0
|
CE1
|
B:HIS175
|
3.3
|
54.2
|
1.0
|
CD2
|
B:HIS175
|
3.5
|
52.7
|
1.0
|
O10
|
B:48H302
|
4.2
|
47.2
|
1.0
|
C10
|
B:48H302
|
4.3
|
55.3
|
1.0
|
C7
|
B:48H302
|
4.5
|
47.1
|
1.0
|
ND1
|
B:HIS175
|
4.5
|
51.5
|
1.0
|
CG
|
B:HIS175
|
4.6
|
51.9
|
1.0
|
NH2
|
B:ARG239
|
4.7
|
43.7
|
1.0
|
CG
|
B:MET229
|
4.9
|
46.4
|
1.0
|
C6
|
B:48H302
|
4.9
|
38.4
|
1.0
|
O7
|
B:48H302
|
5.0
|
35.0
|
1.0
|
|
Iron binding site 3 out
of 4 in 7rk0
Go back to
Iron Binding Sites List in 7rk0
Iron binding site 3 out
of 4 in the Crystal Structure of Thermovibrio Ammonificans THI4
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 Thermovibrio Ammonificans THI4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe301
b:60.6
occ:1.00
|
O8
|
C:48H302
|
2.2
|
56.2
|
1.0
|
N1
|
C:48H302
|
2.2
|
58.7
|
1.0
|
O9
|
C:48H302
|
2.2
|
56.4
|
1.0
|
NE2
|
C:HIS175
|
2.4
|
55.8
|
1.0
|
OD1
|
D:ASP160
|
2.7
|
53.4
|
1.0
|
C8
|
C:48H302
|
2.9
|
51.6
|
1.0
|
C9
|
C:48H302
|
3.0
|
55.5
|
1.0
|
C12
|
C:48H302
|
3.1
|
63.0
|
1.0
|
C11
|
C:48H302
|
3.2
|
59.7
|
1.0
|
CD2
|
C:HIS175
|
3.2
|
54.4
|
1.0
|
CE1
|
C:HIS175
|
3.4
|
57.1
|
1.0
|
CG
|
D:ASP160
|
3.4
|
52.9
|
1.0
|
OD2
|
D:ASP160
|
3.6
|
57.6
|
1.0
|
O10
|
C:48H302
|
4.3
|
62.3
|
1.0
|
C7
|
C:48H302
|
4.4
|
47.2
|
1.0
|
NH2
|
C:ARG239
|
4.4
|
53.4
|
1.0
|
CG
|
C:HIS175
|
4.4
|
55.5
|
1.0
|
C10
|
C:48H302
|
4.5
|
55.5
|
1.0
|
ND1
|
C:HIS175
|
4.5
|
55.0
|
1.0
|
CB
|
D:ASP160
|
4.6
|
46.9
|
1.0
|
O
|
C:HOH406
|
4.8
|
49.5
|
1.0
|
CA
|
D:ASP160
|
4.8
|
45.7
|
1.0
|
C6
|
C:48H302
|
4.8
|
42.6
|
1.0
|
SD
|
C:MET229
|
4.8
|
65.2
|
1.0
|
CG
|
C:MET229
|
4.8
|
47.6
|
1.0
|
O7
|
C:48H302
|
4.8
|
43.0
|
1.0
|
CD
|
D:PRO161
|
4.9
|
44.9
|
1.0
|
|
Iron binding site 4 out
of 4 in 7rk0
Go back to
Iron Binding Sites List in 7rk0
Iron binding site 4 out
of 4 in the Crystal Structure of Thermovibrio Ammonificans THI4
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 Thermovibrio Ammonificans THI4 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe301
b:56.4
occ:1.00
|
N1
|
D:48H302
|
2.1
|
52.4
|
1.0
|
O9
|
D:48H302
|
2.2
|
57.7
|
1.0
|
NE2
|
D:HIS175
|
2.3
|
52.4
|
1.0
|
O8
|
D:48H302
|
2.5
|
51.4
|
1.0
|
C9
|
D:48H302
|
2.9
|
54.4
|
1.0
|
CE1
|
D:HIS175
|
3.0
|
51.6
|
1.0
|
C12
|
D:48H302
|
3.0
|
56.3
|
1.0
|
C8
|
D:48H302
|
3.0
|
52.8
|
1.0
|
C11
|
D:48H302
|
3.1
|
55.8
|
1.0
|
CD2
|
D:HIS175
|
3.6
|
51.4
|
1.0
|
O10
|
D:48H302
|
4.2
|
57.9
|
1.0
|
ND1
|
D:HIS175
|
4.2
|
48.3
|
1.0
|
C10
|
D:48H302
|
4.4
|
57.2
|
1.0
|
NH2
|
D:ARG239
|
4.5
|
56.9
|
1.0
|
C7
|
D:48H302
|
4.5
|
47.4
|
1.0
|
CG
|
D:HIS175
|
4.5
|
48.3
|
1.0
|
CG
|
D:MET229
|
4.5
|
43.9
|
1.0
|
C6
|
D:48H302
|
5.0
|
36.2
|
1.0
|
|
Reference:
J.Joshi,
Q.Li,
J.D.Garcia-Garcia,
B.J.Leong,
Y.Hu,
S.D.Bruner,
A.D.Hanson.
Structure and Function of Aerotolerant, Multiple-Turnover THI4 Thiazole Synthases. Biochem.J. 2021.
ISSN: ESSN 1470-8728
PubMed: 34409984
DOI: 10.1042/BCJ20210565
Page generated: Thu Aug 8 23:56:16 2024
|