Receptor
PDB id Resolution Class Description Source Keywords
1OCU 2.3 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE YEAST PX-DOMAIN PROTEIN GRD19P (SORTING NEXIN 3) COMPLEXED TO P HOSPHATIDYLINOSYTOL-3-PHOSPAHTE. SACCHAROMYCES CEREVISIAE SORTING PROTEIN YEAST PROTEIN CRYSTAL STRUCTURE SORTING NEXIN COMPLEX WITH PHOSPHATIDYLINOSITOL PHOSPHATE
Ref.: CRYSTAL STRUCTURE OF THE YEAST PHOX HOMOLOGY (PX) PROTEIN GRD19P (SORTING NEXIN 3) 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 (SORTING NEXIN 3) COMPLEXED TO P HOSPHATIDYLINOSYTOL-3-PHOSPAHTE. SACCHAROMYCES CEREVISIAE SORTING PROTEIN YEAST PROTEIN CRYSTAL STRUCTURE SORTING NEXIN COMPLEX WITH PHOSPHATIDYLINOSITOL PHOSPHATE
Ref.: CRYSTAL STRUCTURE OF THE YEAST PHOX HOMOLOGY (PX) PROTEIN GRD19P (SORTING NEXIN 3) 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 1256 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 1068 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 922 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: 19
This union binding pocket(no: 1) in the query (biounit: 1ocu.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2NTK IMP 0.008553 0.41544 None
2 4TMK T5A 0.03091 0.41069 None
3 3BEO UDP 0.01573 0.40901 2.46914
4 1Q2C COA 0.0145 0.42264 3.08642
5 2JG1 ANP 0.03495 0.40517 3.08642
6 1CX4 CMP 0.02701 0.4081 3.7037
7 1W78 PD8 0.03038 0.41834 4.32099
8 1DL5 SAH 0.01297 0.40238 4.32099
9 2H7C SIA 0.03335 0.40167 4.93827
10 5FL5 82E 0.03178 0.40006 4.93827
11 2GBB CIT 0.01601 0.40587 5.12821
12 4GCZ FMN 0.003409 0.4608 6.17284
13 1GET FAD 0.04895 0.41397 9.87654
14 4IS0 GDS 0.0009945 0.47846 10.4938
15 2DPM SAM 0.01929 0.40413 11.7284
16 3ITJ CIT 0.01648 0.40616 12.3457
17 1GUX ASP LEU TYR CYS TYR GLU GLN LEU ASN 0.02357 0.40786 13.8158
18 4EPL JAI 0.005594 0.44254 14.1975
19 2BLE 5GP 0.03631 0.40214 14.8148
Pocket No.: 2; Query (leader) PDB : 1OCU; Ligand: PIB; Similar sites found: 10
This union binding pocket(no: 2) in the query (biounit: 1ocu.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Q0D ATP 0.02088 0.4247 4.32099
2 1Z4O GL1 0.01329 0.4132 4.32099
3 2UZH CDP 0.02276 0.40934 5.55556
4 2QRK AMP 0.04363 0.40134 5.55556
5 1HFS L04 0.02713 0.40923 7.5
6 5M58 SAH 0.01897 0.41093 8.64198
7 1DMY AZM 0.02837 0.40269 11.1111
8 4DV8 0LX 0.03346 0.42525 11.7284
9 4X1T UDP 0.01697 0.40304 12.963
10 1R37 NAD 0.04547 0.4035 13.5802
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