Zinc in PDB 4hk7: Crystal Structure of Cordyceps Militaris Idcase in Complex with Uracil
Enzymatic activity of Crystal Structure of Cordyceps Militaris Idcase in Complex with Uracil
All present enzymatic activity of Crystal Structure of Cordyceps Militaris Idcase in Complex with Uracil:
4.1.1.66;
Protein crystallography data
The structure of Crystal Structure of Cordyceps Militaris Idcase in Complex with Uracil, PDB code: 4hk7
was solved by
S.Xu,
J.Zhu,
J.Ding,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
76.73 /
2.19
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
77.333,
144.921,
77.310,
90.00,
97.14,
90.00
|
R / Rfree (%)
|
15.3 /
21
|
Zinc Binding Sites:
The binding sites of Zinc atom in the Crystal Structure of Cordyceps Militaris Idcase in Complex with Uracil
(pdb code 4hk7). This binding sites where shown within
5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the
Crystal Structure of Cordyceps Militaris Idcase in Complex with Uracil, PDB code: 4hk7:
Jump to Zinc binding site number:
1;
2;
3;
4;
5;
6;
Zinc binding site 1 out
of 6 in 4hk7
Go back to
Zinc Binding Sites List in 4hk7
Zinc binding site 1 out
of 6 in the Crystal Structure of Cordyceps Militaris Idcase in Complex with Uracil
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 1 of Crystal Structure of Cordyceps Militaris Idcase in Complex with Uracil within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn401
b:33.6
occ:1.00
|
OD1
|
A:ASP323
|
2.2
|
28.3
|
1.0
|
NE2
|
A:HIS12
|
2.2
|
26.7
|
1.0
|
O4
|
A:URA403
|
2.2
|
29.2
|
1.0
|
NE2
|
A:HIS195
|
2.3
|
26.4
|
1.0
|
NE2
|
A:HIS14
|
2.3
|
24.1
|
1.0
|
CG
|
A:ASP323
|
3.0
|
31.7
|
1.0
|
CD2
|
A:HIS12
|
3.1
|
24.7
|
1.0
|
CD2
|
A:HIS14
|
3.2
|
23.4
|
1.0
|
CD2
|
A:HIS195
|
3.2
|
27.8
|
1.0
|
OD2
|
A:ASP323
|
3.2
|
32.9
|
1.0
|
CE1
|
A:HIS12
|
3.3
|
25.3
|
1.0
|
CE1
|
A:HIS195
|
3.3
|
26.8
|
1.0
|
C4
|
A:URA403
|
3.4
|
32.7
|
1.0
|
CE1
|
A:HIS14
|
3.4
|
26.7
|
1.0
|
C5
|
A:URA403
|
4.0
|
33.5
|
1.0
|
CG
|
A:HIS12
|
4.3
|
26.6
|
1.0
|
ND1
|
A:HIS12
|
4.4
|
26.4
|
1.0
|
CB
|
A:ASP323
|
4.4
|
28.6
|
1.0
|
CG
|
A:HIS14
|
4.4
|
25.8
|
1.0
|
CG
|
A:HIS195
|
4.4
|
26.9
|
1.0
|
ND1
|
A:HIS195
|
4.4
|
25.4
|
1.0
|
NE2
|
A:HIS251
|
4.4
|
31.3
|
1.0
|
ND1
|
A:HIS14
|
4.4
|
27.4
|
1.0
|
N3
|
A:URA403
|
4.5
|
34.6
|
1.0
|
CA
|
A:ASP323
|
4.7
|
25.5
|
1.0
|
CE1
|
A:HIS251
|
4.8
|
29.3
|
1.0
|
CD2
|
A:PHE326
|
4.8
|
30.1
|
1.0
|
CE2
|
A:PHE326
|
5.0
|
28.6
|
1.0
|
|
Zinc binding site 2 out
of 6 in 4hk7
Go back to
Zinc Binding Sites List in 4hk7
Zinc binding site 2 out
of 6 in the Crystal Structure of Cordyceps Militaris Idcase in Complex with Uracil
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 2 of Crystal Structure of Cordyceps Militaris Idcase in Complex with Uracil within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Zn402
b:52.1
occ:1.00
|
NE2
|
A:HIS379
|
2.2
|
61.2
|
1.0
|
NE2
|
A:HIS384
|
2.5
|
36.8
|
1.0
|
CD2
|
A:HIS379
|
3.0
|
64.5
|
1.0
|
CE1
|
A:HIS384
|
3.1
|
36.5
|
1.0
|
CE1
|
A:HIS379
|
3.4
|
63.5
|
1.0
|
CD2
|
A:HIS384
|
3.6
|
34.8
|
1.0
|
CG
|
A:HIS379
|
4.3
|
67.0
|
1.0
|
ND1
|
A:HIS384
|
4.4
|
37.5
|
1.0
|
ND1
|
A:HIS379
|
4.4
|
66.5
|
1.0
|
CG1
|
A:VAL128
|
4.6
|
41.4
|
1.0
|
CG
|
A:HIS384
|
4.7
|
36.3
|
1.0
|
|
Zinc binding site 3 out
of 6 in 4hk7
Go back to
Zinc Binding Sites List in 4hk7
Zinc binding site 3 out
of 6 in the Crystal Structure of Cordyceps Militaris Idcase in Complex with Uracil
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 3 of Crystal Structure of Cordyceps Militaris Idcase in Complex with Uracil within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Zn401
b:34.3
occ:1.00
|
NE2
|
B:HIS195
|
2.2
|
26.5
|
1.0
|
OD1
|
B:ASP323
|
2.2
|
30.0
|
1.0
|
NE2
|
B:HIS12
|
2.2
|
26.1
|
1.0
|
NE2
|
B:HIS14
|
2.3
|
27.7
|
1.0
|
O4
|
B:URA402
|
2.3
|
27.7
|
1.0
|
CD2
|
B:HIS12
|
3.1
|
26.9
|
1.0
|
CG
|
B:ASP323
|
3.1
|
29.6
|
1.0
|
CD2
|
B:HIS14
|
3.1
|
28.0
|
1.0
|
CE1
|
B:HIS195
|
3.1
|
29.5
|
1.0
|
CD2
|
B:HIS195
|
3.3
|
26.7
|
1.0
|
OD2
|
B:ASP323
|
3.3
|
30.5
|
1.0
|
CE1
|
B:HIS12
|
3.3
|
25.6
|
1.0
|
CE1
|
B:HIS14
|
3.4
|
28.7
|
1.0
|
C4
|
B:URA402
|
3.4
|
32.0
|
1.0
|
C5
|
B:URA402
|
4.0
|
29.7
|
1.0
|
ND1
|
B:HIS195
|
4.3
|
30.6
|
1.0
|
CG
|
B:HIS12
|
4.3
|
26.0
|
1.0
|
CG
|
B:HIS14
|
4.3
|
29.4
|
1.0
|
CG
|
B:HIS195
|
4.4
|
28.4
|
1.0
|
ND1
|
B:HIS12
|
4.4
|
26.3
|
1.0
|
ND1
|
B:HIS14
|
4.4
|
29.1
|
1.0
|
CB
|
B:ASP323
|
4.5
|
26.3
|
1.0
|
NE2
|
B:HIS251
|
4.5
|
29.2
|
1.0
|
N3
|
B:URA402
|
4.6
|
31.4
|
1.0
|
CD2
|
B:PHE326
|
4.7
|
30.8
|
1.0
|
CA
|
B:ASP323
|
4.8
|
26.0
|
1.0
|
CE2
|
B:PHE326
|
4.9
|
30.9
|
1.0
|
CE1
|
B:HIS251
|
4.9
|
29.3
|
1.0
|
|
Zinc binding site 4 out
of 6 in 4hk7
Go back to
Zinc Binding Sites List in 4hk7
Zinc binding site 4 out
of 6 in the Crystal Structure of Cordyceps Militaris Idcase in Complex with Uracil
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 4 of Crystal Structure of Cordyceps Militaris Idcase in Complex with Uracil within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Zn401
b:28.6
occ:1.00
|
NE2
|
C:HIS14
|
2.2
|
21.4
|
1.0
|
NE2
|
C:HIS195
|
2.2
|
20.1
|
1.0
|
O4
|
C:URA402
|
2.2
|
23.3
|
1.0
|
OD1
|
C:ASP323
|
2.2
|
27.1
|
1.0
|
NE2
|
C:HIS12
|
2.3
|
20.7
|
1.0
|
CG
|
C:ASP323
|
3.1
|
28.6
|
1.0
|
CD2
|
C:HIS12
|
3.1
|
20.2
|
1.0
|
CD2
|
C:HIS14
|
3.1
|
23.8
|
1.0
|
CE1
|
C:HIS195
|
3.2
|
21.7
|
1.0
|
CD2
|
C:HIS195
|
3.2
|
21.8
|
1.0
|
CE1
|
C:HIS14
|
3.2
|
25.3
|
1.0
|
OD2
|
C:ASP323
|
3.3
|
32.0
|
1.0
|
C4
|
C:URA402
|
3.3
|
24.7
|
1.0
|
CE1
|
C:HIS12
|
3.4
|
20.7
|
1.0
|
C5
|
C:URA402
|
3.8
|
23.8
|
1.0
|
ND1
|
C:HIS195
|
4.3
|
23.8
|
1.0
|
CG
|
C:HIS14
|
4.3
|
25.7
|
1.0
|
ND1
|
C:HIS14
|
4.3
|
27.1
|
1.0
|
CG
|
C:HIS12
|
4.3
|
22.7
|
1.0
|
CG
|
C:HIS195
|
4.4
|
24.0
|
1.0
|
ND1
|
C:HIS12
|
4.4
|
24.6
|
1.0
|
CB
|
C:ASP323
|
4.4
|
24.0
|
1.0
|
NE2
|
C:HIS251
|
4.5
|
23.1
|
1.0
|
N3
|
C:URA402
|
4.5
|
24.3
|
1.0
|
CA
|
C:ASP323
|
4.7
|
23.1
|
1.0
|
CD2
|
C:PHE326
|
4.8
|
22.3
|
1.0
|
CE1
|
C:HIS251
|
4.9
|
22.5
|
1.0
|
|
Zinc binding site 5 out
of 6 in 4hk7
Go back to
Zinc Binding Sites List in 4hk7
Zinc binding site 5 out
of 6 in the Crystal Structure of Cordyceps Militaris Idcase in Complex with Uracil
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 5 of Crystal Structure of Cordyceps Militaris Idcase in Complex with Uracil within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn401
b:31.6
occ:1.00
|
O4
|
D:URA403
|
2.2
|
25.8
|
1.0
|
NE2
|
D:HIS195
|
2.2
|
19.2
|
1.0
|
OD1
|
D:ASP323
|
2.2
|
25.6
|
1.0
|
NE2
|
D:HIS12
|
2.2
|
22.0
|
1.0
|
NE2
|
D:HIS14
|
2.3
|
19.5
|
1.0
|
CD2
|
D:HIS14
|
3.1
|
20.9
|
1.0
|
CG
|
D:ASP323
|
3.1
|
28.6
|
1.0
|
CD2
|
D:HIS12
|
3.2
|
20.5
|
1.0
|
CE1
|
D:HIS195
|
3.2
|
19.5
|
1.0
|
CD2
|
D:HIS195
|
3.2
|
19.6
|
1.0
|
CE1
|
D:HIS12
|
3.3
|
20.2
|
1.0
|
C4
|
D:URA403
|
3.3
|
25.6
|
1.0
|
OD2
|
D:ASP323
|
3.4
|
30.0
|
1.0
|
CE1
|
D:HIS14
|
3.4
|
20.9
|
1.0
|
C5
|
D:URA403
|
3.9
|
25.4
|
1.0
|
CG
|
D:HIS14
|
4.3
|
22.2
|
1.0
|
ND1
|
D:HIS195
|
4.3
|
20.3
|
1.0
|
CG
|
D:HIS12
|
4.4
|
22.7
|
1.0
|
ND1
|
D:HIS12
|
4.4
|
24.9
|
1.0
|
CG
|
D:HIS195
|
4.4
|
22.0
|
1.0
|
NE2
|
D:HIS251
|
4.4
|
25.9
|
1.0
|
ND1
|
D:HIS14
|
4.4
|
23.2
|
1.0
|
N3
|
D:URA403
|
4.5
|
24.1
|
1.0
|
CB
|
D:ASP323
|
4.5
|
24.5
|
1.0
|
CD2
|
D:PHE326
|
4.8
|
23.4
|
1.0
|
CA
|
D:ASP323
|
4.8
|
22.6
|
1.0
|
CE1
|
D:HIS251
|
4.9
|
25.4
|
1.0
|
CE2
|
D:PHE326
|
5.0
|
23.9
|
1.0
|
|
Zinc binding site 6 out
of 6 in 4hk7
Go back to
Zinc Binding Sites List in 4hk7
Zinc binding site 6 out
of 6 in the Crystal Structure of Cordyceps Militaris Idcase in Complex with Uracil
Mono view
Stereo pair view
|
A full contact list of Zinc with other atoms in the Zn binding
site number 6 of Crystal Structure of Cordyceps Militaris Idcase in Complex with Uracil within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Zn402
b:37.8
occ:1.00
|
NE2
|
D:HIS384
|
2.2
|
34.9
|
1.0
|
NE2
|
D:HIS379
|
2.2
|
41.5
|
1.0
|
CE1
|
D:HIS384
|
3.1
|
35.4
|
1.0
|
CE1
|
D:HIS379
|
3.2
|
37.7
|
1.0
|
CD2
|
D:HIS384
|
3.2
|
34.6
|
1.0
|
CD2
|
D:HIS379
|
3.2
|
38.5
|
1.0
|
ND1
|
D:HIS379
|
4.3
|
38.7
|
1.0
|
ND1
|
D:HIS384
|
4.3
|
39.5
|
1.0
|
CG
|
D:HIS379
|
4.4
|
39.7
|
1.0
|
CG
|
D:HIS384
|
4.4
|
38.2
|
1.0
|
|
Reference:
S.Xu,
W.Li,
J.Zhu,
R.Wang,
Z.Li,
G.L.Xu,
J.Ding.
Crystal Structures of Isoorotate Decarboxylases Reveal A Novel Catalytic Mechanism of 5-Carboxyl-Uracil Decarboxylation and Shed Light on the Search For Dna Decarboxylase. Cell Res. V. 23 1296 2013.
ISSN: ISSN 1001-0602
PubMed: 23917530
DOI: 10.1038/CR.2013.107
Page generated: Sun Oct 27 00:09:17 2024
|