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Receptor
PDB id Resolution Class Description Source Keywords
1OCU 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE YEAST PX-DOMAIN PROTEIN GRD19P (SOR 3) COMPLEXED TO PHOSPHATIDYLINOSYTOL-3-PHOSPHATE. SACCHAROMYCES CEREVISIAE S288C SORTING PROTEIN YEAST PROTEIN SORTING NEXIN COMPLEX WITH PHOSPHATIDYLINOSITOL PHOSPHATE
Ref.: CRYSTAL STRUCTURE OF THE YEAST PHOX HOMOLOGY (PX) D PROTEIN GRD19P COMPLEXED TO PHOSPHATIDYLINOSITOL-3-PHOSPHATE. J. BIOL. CHEM. V. 278 50371 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PIB A:1163;
B:1164;
Valid;
Valid;
none;
none;
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554.374 C17 H32 O16 P2 CCCC(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OCU 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE YEAST PX-DOMAIN PROTEIN GRD19P (SOR 3) COMPLEXED TO PHOSPHATIDYLINOSYTOL-3-PHOSPHATE. SACCHAROMYCES CEREVISIAE S288C SORTING PROTEIN YEAST PROTEIN SORTING NEXIN COMPLEX WITH PHOSPHATIDYLINOSITOL PHOSPHATE
Ref.: CRYSTAL STRUCTURE OF THE YEAST PHOX HOMOLOGY (PX) D PROTEIN GRD19P COMPLEXED TO PHOSPHATIDYLINOSITOL-3-PHOSPHATE. J. BIOL. CHEM. V. 278 50371 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 1OCU - PIB C17 H32 O16 P2 CCCC(=O)OC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 1OCU - PIB C17 H32 O16 P2 CCCC(=O)OC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 1OCU - PIB C17 H32 O16 P2 CCCC(=O)OC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PIB; Similar ligands found: 21
No: Ligand ECFP6 Tc MDL keys Tc
1 5P5 1 1
2 PIB 1 1
3 DB4 0.84127 1
4 PBU 0.818182 1
5 PIF 0.623377 0.938776
6 PIO 0.620253 0.938776
7 52N 0.620253 0.938776
8 3PI 0.613333 0.957447
9 IP9 0.6 0.918367
10 PII 0.597403 0.918367
11 PIZ 0.592593 0.918367
12 4PT 0.5625 0.9375
13 B7N 0.534884 0.9
14 T7X 0.51087 0.9
15 CN6 0.413793 0.76
16 44E 0.413333 0.795918
17 PSF 0.409639 0.684211
18 CN3 0.404494 0.76
19 PD7 0.402597 0.795918
20 44G 0.402439 0.764706
21 PIE 0.4 0.843137
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OCU; Ligand: PIB; Similar sites found with APoc: 73
This union binding pocket(no: 1) in the query (biounit: 1ocu.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 2NTK IMP None
2 4TMK T5A None
3 1D01 ACE MET LEU SER VAL GLU GLU GLU GLY None
4 3P7N FMN 1.23457
5 4QVH COA 1.85185
6 5LLT DND 1.85185
7 3BEO UDP 2.46914
8 1Q2C COA 3.08642
9 4NSQ COA 3.08642
10 2JG1 ANP 3.08642
11 1PFY MSP 3.7037
12 1CX4 CMP 3.7037
13 2C29 NAP 3.7037
14 5H86 BCO 4.32099
15 1W78 PD8 4.32099
16 5IWQ PLP 4.32099
17 1DL5 SAH 4.32099
18 1IM8 SAI 4.93827
19 1P0F NAP 4.93827
20 2R42 FPS 4.93827
21 2H7C SIA 4.93827
22 2ZJ5 ADP 4.93827
23 5YKT PMP 4.93827
24 2GBB CIT 5.12821
25 2Z6C FMN 5.42636
26 4WUJ FMN 5.44218
27 4WAS NAP 5.55556
28 1GTE FMN 5.55556
29 1GTE IUR 5.55556
30 1O7Q UDP 5.55556
31 4BXK 1IU 6.17284
32 4GCZ FMN 6.17284
33 4RVU NDP 6.17284
34 1D1T NAD 6.17284
35 5FI3 NAP 6.79012
36 5TIV A3P 6.79012
37 5WP5 SAH 6.79012
38 4UOX PLP PUT 6.79012
39 4R38 RBF 7.14286
40 1D2N ANP 7.35294
41 2WKQ FMN 7.40741
42 1XV5 UDP 7.40741
43 2YVK MRU 7.40741
44 1HFS L04 7.5
45 4CA5 3EF 8.02469
46 3DST GRG 8.02469
47 2PR5 FMN 8.33333
48 2Z6D FMN 8.46154
49 6F68 4EU 8.64198
50 6F68 GSH 8.64198
51 5A4W QCT 9.25926
52 1KEV NDP 9.25926
53 1GET FAD 9.87654
54 1GET NAP 9.87654
55 4IS0 GDS 10.4938
56 4GID 0GH 11.1111
57 2DPM SAM 11.7284
58 3ITJ CIT 12.3457
59 3UMV FAD 12.963
60 2GDV BGC 12.963
61 1GUX ASP LEU TYR CYS TYR GLU GLN LEU ASN 13.8158
62 4EPL JAI 14.1975
63 5ECP MET 14.1975
64 5ECP JAA 14.1975
65 2BLE 5GP 14.8148
66 4CDN FO1 15.4321
67 4CDN FAD 15.4321
68 4EES FMN 16.5217
69 3JYN NDP 16.6667
70 4EU7 CIT 16.6667
71 3T50 FMN 17.9688
72 2VVT I24 18.5185
73 6GBV FMN 27.3973
Pocket No.: 2; Query (leader) PDB : 1OCU; Ligand: PIB; Similar sites found with APoc: 38
This union binding pocket(no: 2) in the query (biounit: 1ocu.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5MT9 SRO None
2 4QVB F42 None
3 2QM9 TDZ None
4 4XCP PLM None
5 4D9M 0JO 1.85185
6 3KV8 FAH 2.8777
7 6G33 5ID 3.24484
8 3WLE NAD 3.7037
9 1DFO FFO 3.7037
10 1J6W MET 3.7037
11 5E4R NAP 4.32099
12 2Q0D ATP 4.32099
13 1Z4O GL1 4.32099
14 5V2J UDP 4.32099
15 5V2J 7WV 4.32099
16 3FZG SAM 4.93827
17 2UZH CDP 5.55556
18 2QRK AMP 5.55556
19 6C8X BVR 6.06061
20 1TW4 CHD 6.4
21 4UOX PUT 6.79012
22 5NNA BZM 7.40741
23 5UY8 8UM 7.40741
24 5UY8 AMZ 7.40741
25 1U3U BNF 8.02469
26 1U3U NAD 8.02469
27 5MGZ SAH 8.02469
28 5M58 SAH 8.64198
29 2AGD UDH 10.4938
30 4COQ SAN 11.1111
31 1DMY AZM 11.1111
32 1SFF IK2 11.1111
33 4DV8 0LX 11.7284
34 5LS7 ACO 11.7647
35 4X1T UDP 12.963
36 1R37 NAD 13.5802
37 5ECP ATP 14.1975
38 1YNQ NDP 16.6667
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