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Receptor
PDB id Resolution Class Description Source Keywords
4YGM 1.85 Å EC: 3.2.2.27 VACCINIA VIRUS HIS-D4/A20(1-50) IN COMPLEX WITH URACIL VACCINIA VIRUS (STRAIN COPENHAGEN) URACIL DNA GLYCOSIDASE VIRUS REPLICATION HYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE VACCINIA VIRUS URACIL-DNA GLYCOSYLASE IN COMPLEX WITH DNA. J.BIOL.CHEM. V. 290 17923 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:303;
B:301;
B:304;
A:302;
A:301;
B:302;
B:303;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
URA B:305;
A:304;
Valid;
Valid;
none;
none;
submit data
112.087 C4 H4 N2 O2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4YGM 1.85 Å EC: 3.2.2.27 VACCINIA VIRUS HIS-D4/A20(1-50) IN COMPLEX WITH URACIL VACCINIA VIRUS (STRAIN COPENHAGEN) URACIL DNA GLYCOSIDASE VIRUS REPLICATION HYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE VACCINIA VIRUS URACIL-DNA GLYCOSYLASE IN COMPLEX WITH DNA. J.BIOL.CHEM. V. 290 17923 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4YGM - URA C4 H4 N2 O2 C1=CNC(=O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4YGM - URA C4 H4 N2 O2 C1=CNC(=O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4YGM - URA C4 H4 N2 O2 C1=CNC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: URA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 URA 1 1
2 TUL 0.5 0.725
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4YGM; Ligand: URA; Similar sites found with APoc: 75
This union binding pocket(no: 1) in the query (biounit: 4ygm.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1XG5 NAP 1.2931
2 2Q2V NAD 1.2931
3 6C7R EO4 1.6
4 3OID NDP 1.72414
5 5OJI ISN 2.58621
6 5OJI NAP 2.58621
7 3H9E NAD 2.58621
8 1QL9 ZEN 3.44828
9 3AFN NAP 3.44828
10 6C9B EGV 3.44828
11 6C8T EQJ 3.44828
12 6C92 EGV 3.44828
13 5N6C NAD 3.84615
14 2D2I NAP 3.84615
15 5L95 AMP 3.84615
16 4R4U COA 3.87931
17 5O98 NAP 3.87931
18 2DTX BMA 3.87931
19 3HMO STU 3.87931
20 1TDF FAD 4.31034
21 2I4I AMP 4.31034
22 1KJ8 ATP 4.74138
23 1KJ8 GAR 4.74138
24 1NU4 MLA 5.15464
25 5H9I XAN 5.17241
26 4IP7 FBP 5.17241
27 1O5O U5P 5.42986
28 4Z0H NAD 5.60345
29 1LSS NAD 5.71429
30 1H82 FAD 5.76923
31 4E5N NAD 6.03448
32 1P0F NAP 6.46552
33 2J4K U5P 6.63717
34 3HGM ATP 6.80272
35 1QDS PGA 6.89655
36 2YVJ NAI 7.32759
37 2ZAT NAP 8.62069
38 1N5D NDP 8.62069
39 1UI0 URA 9.26829
40 5ZBC FAD 9.61539
41 3AB1 FAD 9.61539
42 5G3U ITW 9.61539
43 1RSG FAD 9.61539
44 4XQC NAD 9.61539
45 4ZFL 4NK 11.1111
46 5EPO NAP 11.5385
47 4BTI 7R9 11.5385
48 1FIW PBZ 11.5385
49 1MZV AMP 11.5385
50 3QWI CUE 11.5385
51 5DN9 NAD 11.6379
52 6HOY TSN 12.069
53 4LI4 AMP 12.5
54 1SW0 PGA 13.4615
55 3X0V FAD 13.4615
56 3BJK CIT 13.7255
57 1BZY IMU 15.2074
58 5KDS A2G THR ALA PRO GLY GLY NAG SIA 15.3846
59 6GAS FAD 15.3846
60 4N8I COA 17.3077
61 3MBI HSX 17.3077
62 1HDG NAD 19.2308
63 2JKY 5GP 19.2308
64 5N0J FAD 20.6897
65 5L0U 660 21.1538
66 1EWJ BLM 23.0159
67 1O94 AMP 23.0769
68 3KRU FMN 25
69 5WGR FAD 26.9231
70 5LHT TIH 26.9231
71 5TS5 FAD 26.9231
72 2EUG URA 28.3843
73 3FCI 3FI 30.9417
74 4WS6 WBU 34.874
75 1UDH URA 38.7931
Pocket No.: 2; Query (leader) PDB : 4YGM; Ligand: URA; Similar sites found with APoc: 29
This union binding pocket(no: 2) in the query (biounit: 4ygm.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 2DT5 NAD 2.36967
2 1B8U OAA 2.58621
3 1O97 FAD 3.01724
4 1O97 AMP 3.01724
5 6C92 EQJ 3.44828
6 2BD0 NAP 3.44828
7 5FJN BE2 4.31034
8 5FJN FAD 4.31034
9 3NW7 LGV 5.76923
10 1YQC GLV 5.88235
11 3L9W AMP 6.03448
12 3KB6 NAD 6.89655
13 5LWY OLA 7.32759
14 2VDV SAM 7.69231
15 2RH4 EMO 7.75862
16 5L4S 6KX 7.75862
17 5L4S NAP 7.75862
18 6G28 AR6 8.17439
19 1E5Q NDP 9.61539
20 1KYQ NAD 9.61539
21 5HSA FAS 10.3448
22 1SC6 NAD 11.1386
23 5DOZ NDP 11.5385
24 1FFU CDP 12.2699
25 2WDQ TEO 13.1783
26 1YB5 NAP 13.3621
27 1P9B GDP 15.5172
28 5LJ0 6XX 23.0769
29 5D6J ATP 32.6923
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