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Receptor
PDB id Resolution Class Description Source Keywords
3P0F 1.54 Å EC: 2.4.2.3 STRUCTURE OF HUPP2 IN AN INACTIVE CONFORMATION WITH BOUND 5- BENZYLACYCLOURIDINE HOMO SAPIENS URIDINE PHOSPHORYLASE TRANSFERASE
Ref.: A NOVEL STRUCTURAL MECHANISM FOR REDOX REGULATION O PHOSPHORYLASE 2 ACTIVITY. J.STRUCT.BIOL. V. 176 229 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BAU A:400;
Valid;
none;
submit data
276.288 C14 H16 N2 O4 c1ccc...
CO A:1;
A:2;
Part of Protein;
Part of Protein;
none;
none;
submit data
58.933 Co [Co+2...
MG A:315;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3P0F 1.54 Å EC: 2.4.2.3 STRUCTURE OF HUPP2 IN AN INACTIVE CONFORMATION WITH BOUND 5- BENZYLACYCLOURIDINE HOMO SAPIENS URIDINE PHOSPHORYLASE TRANSFERASE
Ref.: A NOVEL STRUCTURAL MECHANISM FOR REDOX REGULATION O PHOSPHORYLASE 2 ACTIVITY. J.STRUCT.BIOL. V. 176 229 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3P0E - BAU C14 H16 N2 O4 c1ccc(cc1)....
2 3P0F - BAU C14 H16 N2 O4 c1ccc(cc1)....
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 : 3P0F; Ligand: BAU; Similar sites found with APoc: 58
This union binding pocket(no: 1) in the query (biounit: 3p0f.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 4QAR ADE None
2 6AYR BIG 1.68067
3 5F7J ADE 2.3569
4 4GLJ RHB 2.3569
5 1RJW ETF 2.3569
6 1Q11 TYE 2.41935
7 4K91 SIN 2.6936
8 4FXQ G9L 2.6936
9 1G2O IMH 2.98507
10 4BMX ADE 3.18725
11 1GZF NIR 3.31754
12 4FFS BIG 3.34728
13 5W75 SUC 3.367
14 5U3F 7TS 3.367
15 2P4S DIH 3.367
16 2A8Y MTA 3.7037
17 3SHR CMP 3.7037
18 1IYE PGU 3.7037
19 2I74 MAN MAN MAN MAN 3.7037
20 5TQZ GLC 4
21 2VWT PYR 4.11985
22 3DJF BC3 4.18118
23 2J0B UDP 4.28571
24 1VMK GUN 4.33213
25 5E70 RCD 4.3771
26 5YSI NCA 4.60526
27 5TBS ADE 5.22648
28 4FK7 P34 5.24017
29 3LGS SAH 5.24345
30 3LGS ADE 5.24345
31 5IFK HPA 5.38721
32 1TLG GAL 5.6
33 5ETJ IM5 5.72391
34 6ACS CIT 5.81395
35 2A0W DIH 5.88235
36 1B8O IMH 5.98592
37 1K27 MTM 6.00707
38 3BL6 FMC 6.08696
39 1ZOS MTM 6.52174
40 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 7.74411
41 4WKC BIG 9.09091
42 3OQJ 3CX 9.33852
43 4CE5 PDG 10.5105
44 1C3X 8IG 11.2782
45 1VKF CIT 12.234
46 6F4W FMC 13.7339
47 4UUG PXG 14.8148
48 1ODJ GMP 16.5957
49 3U40 ADN 17.3554
50 1VHW ADN 17.3913
51 1NW4 IMH 20.2899
52 4DA6 GA2 28.4585
53 2AC7 ADN 29.7872
54 1JE1 GMP 30.9322
55 1Z34 2FD 31.4894
56 4WKB TDI 32.7869
57 3BJE URA 35.0168
58 1A69 FMB 36.5546
Pocket No.: 2; Query (leader) PDB : 3P0F; Ligand: BAU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3p0f.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
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