-->
Receptor
PDB id Resolution Class Description Source Keywords
3EUF 1.9 Å EC: 2.4.2.3 CRYSTAL STRUCTURE OF BAU-BOUND HUMAN URIDINE PHOSPHORYLASE 1 HOMO SAPIENS NUCLEOSIDE PHOSPHORYLASE URIDINE RESCUE 5- BENZYLACYCLOURIDINE ALTERNATIVE SPLICING GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: IMPLICATIONS OF THE STRUCTURE OF HUMAN URIDINE PHOSPHORYLASE 1 ON THE DEVELOPMENT OF NOVEL INHIBITORS FOR IMPROVING THE THERAPEUTIC WINDOW OF FLUOROPYRIMIDINE CHEMOTHERAPY. BMC STRUCT.BIOL. V. 9 14 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BAU A:400;
B:400;
C:400;
D:400;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
276.288 C14 H16 N2 O4 c1ccc...
PO4 A:401;
B:401;
C:401;
D:401;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3EUF 1.9 Å EC: 2.4.2.3 CRYSTAL STRUCTURE OF BAU-BOUND HUMAN URIDINE PHOSPHORYLASE 1 HOMO SAPIENS NUCLEOSIDE PHOSPHORYLASE URIDINE RESCUE 5- BENZYLACYCLOURIDINE ALTERNATIVE SPLICING GLYCOSYLTRANSFERASE TRANSFERASE
Ref.: IMPLICATIONS OF THE STRUCTURE OF HUMAN URIDINE PHOSPHORYLASE 1 ON THE DEVELOPMENT OF NOVEL INHIBITORS FOR IMPROVING THE THERAPEUTIC WINDOW OF FLUOROPYRIMIDINE CHEMOTHERAPY. BMC STRUCT.BIOL. V. 9 14 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3EUF - BAU C14 H16 N2 O4 c1ccc(cc1)....
2 3NBQ - URF C4 H3 F N2 O2 C1=C(C(=O)....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 3P0E - BAU C14 H16 N2 O4 c1ccc(cc1)....
2 3P0F - BAU C14 H16 N2 O4 c1ccc(cc1)....
3 3EUF - BAU C14 H16 N2 O4 c1ccc(cc1)....
4 3NBQ - URF C4 H3 F N2 O2 C1=C(C(=O)....
5 3KVY - URA C4 H4 N2 O2 C1=CNC(=O)....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 3P0E - BAU C14 H16 N2 O4 c1ccc(cc1)....
2 3P0F - BAU C14 H16 N2 O4 c1ccc(cc1)....
3 3EUF - BAU C14 H16 N2 O4 c1ccc(cc1)....
4 3NBQ - URF C4 H3 F N2 O2 C1=C(C(=O)....
5 5CYF - FLC C6 H5 O7 C(C(=O)[O-....
6 4TXJ - THM C10 H14 N2 O5 CC1=CN(C(=....
7 4TXM - TDR C5 H6 N2 O2 CC1=CNC(=O....
8 4TXL - URA C4 H4 N2 O2 C1=CNC(=O)....
9 4TXN - URF C4 H3 F N2 O2 C1=C(C(=O)....
10 3KVY - URA C4 H4 N2 O2 C1=CNC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BAU; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 BAU 1 1
2 183 0.657534 0.953125
3 182 0.507246 0.936508
4 181 0.492754 0.907692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3EUF; Ligand: BAU; Similar sites found with APoc: 81
This union binding pocket(no: 1) in the query (biounit: 3euf.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3ZOK NAD 1.21951
2 4A59 AMP 1.82927
3 5HTX ADP 1.82927
4 3DLG GWE 1.82927
5 4B2Z P5S 2.13415
6 5W75 SUC 2.13415
7 1Q11 TYE 2.13415
8 3PPM JG1 2.13415
9 2BW7 ECS 2.28311
10 2VDJ HSE 2.32558
11 1B8O IMH 2.46479
12 4QAR ADE 2.48756
13 5K3W PLP 2.55591
14 1ZOS MTM 2.6087
15 1XX6 ADP 2.6178
16 4FK7 P34 2.62009
17 4GLJ RHB 2.6936
18 6ACS CIT 2.71318
19 5IFK HPA 3.04878
20 1KC7 PPR 3.04878
21 5F7J ADE 3.125
22 5E70 RCD 3.35366
23 4K38 SAM 3.35366
24 1OUK 084 3.65854
25 1RJW ETF 3.65854
26 4K91 SIN 3.65854
27 5MDH NAD 3.65854
28 4X6F 3XU 3.80952
29 1VMK GUN 3.97112
30 2A8Y MTA 4.07407
31 4WKB TDI 4.09836
32 5I60 67W 4.26829
33 5ETJ IM5 4.32099
34 5TBS ADE 4.52962
35 2P4S DIH 4.57317
36 3ITJ FAD 4.73373
37 3BL6 FMC 4.78261
38 2A0W DIH 4.84429
39 1IYE PGU 4.85437
40 4CE5 PDG 5.18293
41 3LGS ADE 5.24345
42 3LGS SAH 5.24345
43 4TS1 TYR 5.32915
44 5EK3 5PK 5.79268
45 1GPM AMP 5.79268
46 4XZ9 G3P 5.8296
47 6AYR BIG 5.88235
48 5YSI NCA 5.92105
49 1G2O IMH 5.97015
50 4BMX ADE 5.9761
51 4FFS BIG 6.27615
52 1VB3 KPA 6.30841
53 5JCA FAD 6.40244
54 2J0B UDP 6.42857
55 3OQJ 3CX 6.61479
56 5U3F 7TS 7.31707
57 3DAA PDD 7.58123
58 2Q4W FAD 7.62195
59 4FXQ G9L 8.23171
60 1KDK DHT 8.47458
61 4DA6 GA2 9.09091
62 1C3X 8IG 9.3985
63 4UUG PXG 9.45122
64 1K27 MTM 9.54064
65 1GZF NIR 9.95261
66 3DJF BC3 10.1045
67 1NW4 IMH 10.5072
68 2AC7 ADN 10.6383
69 3WFD AXO 12.2066
70 1JE1 GMP 12.2881
71 6F4W FMC 12.4464
72 2B4B B33 12.8655
73 4WKC BIG 15.102
74 1VKF CIT 15.9574
75 1Z34 2FD 19.5745
76 3U40 ADN 25.2066
77 3BJE URA 30.4878
78 3BJE R1P 30.4878
79 1VHW ADN 32.4111
80 1A69 FMB 35.7143
81 1ODJ GMP 45.1064
Pocket No.: 2; Query (leader) PDB : 3EUF; Ligand: BAU; Similar sites found with APoc: 16
This union binding pocket(no: 2) in the query (biounit: 3euf.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 4U7W NDP 1.52439
2 2HVW DCP 2.17391
3 4NG2 OHN 2.71739
4 5AAV GW5 2.77778
5 4N9I PCG 2.85714
6 1UH4 GLC GLC GLC GLC GLC GLC 3.65854
7 1RM0 NAI 3.65854
8 3SHR CMP 4.34783
9 3ESS 18N 4.78261
10 3VET TOY 5.18293
11 5WAN FMN 5.18293
12 4Y9J UCC 6.09756
13 4WUP 3UF 6.53846
14 5OF1 SAL 6.66667
15 3OJI PYV 8.46561
16 5LX6 78P 9.94764
Pocket No.: 3; Query (leader) PDB : 3EUF; Ligand: BAU; Similar sites found with APoc: 8
This union binding pocket(no: 3) in the query (biounit: 3euf.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4JJF N2I 2.43902
2 4YVN EBS 2.43902
3 3P13 RIP 6.25
4 5MLR NAP 7.31707
5 5MLR GRQ 7.31707
6 6AM8 PLT 8.23171
7 5XVG 8FX 14.3345
8 1Q7L GLY 14.7727
Pocket No.: 4; Query (leader) PDB : 3EUF; Ligand: BAU; Similar sites found with APoc: 13
This union binding pocket(no: 4) in the query (biounit: 3euf.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 2D4V NAD 2.13415
2 5ICE 2H4 2.55682
3 1CX9 NHP 2.61194
4 1SJD NPG 3.65854
5 2CFC KPC 5.6
6 3WUC GLC GAL 5.83942
7 4LAE NAP 5.98802
8 4LAE 1VM 5.98802
9 4J36 FAD 6.09756
10 1TDF FAD 6.64557
11 4IYO NAK 7.92683
12 4OGQ 7PH 10
13 5VIT MLI 10.101
APoc FAQ
Feedback