Receptor
PDB id Resolution Class Description Source Keywords
6BMS 2.44 Å EC: 2.3.1.225 PALMITOYLTRANSFERASE STRUCTURE DANIO RERIO MEMBRANE BOUND ENZYME MEMBRANE PROTEIN
Ref.: FATTY ACYL RECOGNITION AND TRANSFER BY AN INTEGRAL MEMBRANES-ACYLTRANSFERASE. SCIENCE V. 359 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 D:1006;
A:1008;
D:1005;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
LMT A:1004;
D:1007;
D:1003;
A:1005;
A:1003;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
510.615 C24 H46 O11 CCCCC...
ZN A:1002;
D:1002;
D:1001;
A:1001;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
POV A:1007;
Valid;
none;
submit data
760.076 C42 H82 N O8 P CCCCC...
PLM D:1004;
A:1006;
Valid;
Valid;
none;
none;
submit data
256.424 C16 H32 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6BMS 2.44 Å EC: 2.3.1.225 PALMITOYLTRANSFERASE STRUCTURE DANIO RERIO MEMBRANE BOUND ENZYME MEMBRANE PROTEIN
Ref.: FATTY ACYL RECOGNITION AND TRANSFER BY AN INTEGRAL MEMBRANES-ACYLTRANSFERASE. SCIENCE V. 359 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 6BMS - POV C42 H82 N O8 P CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 6BMS - POV C42 H82 N O8 P CCCCCCCCCC....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 6BMM - OLB C21 H40 O4 CCCCCCCC/C....
2 6BMS - POV C42 H82 N O8 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: POV; Similar ligands found: 84
No: Ligand ECFP6 Tc MDL keys Tc
1 POV 1 1
2 L9R 1 1
3 PCF 0.873239 0.98
4 MC3 0.873239 0.98
5 PC1 0.873239 0.98
6 DLP 0.860759 1
7 PCW 0.7625 0.925926
8 3PE 0.701299 0.796296
9 P3A 0.694118 0.696429
10 PSC 0.681818 0.925926
11 D21 0.666667 0.690909
12 PIE 0.655172 0.661017
13 HGX 0.65 0.907407
14 6PL 0.65 0.907407
15 PC7 0.65 0.907407
16 LIO 0.65 0.907407
17 PLD 0.65 0.907407
18 HGP 0.65 0.907407
19 6OU 0.642857 0.728814
20 L9Q 0.642857 0.728814
21 LOP 0.642857 0.728814
22 CDL 0.632911 0.730769
23 ZPE 0.609195 0.728814
24 XP5 0.604938 0.907407
25 D3D 0.597701 0.666667
26 PGW 0.597701 0.666667
27 PGV 0.590909 0.666667
28 DR9 0.590909 0.666667
29 GP7 0.586957 0.728814
30 PX2 0.584416 0.716981
31 PX8 0.584416 0.716981
32 P6L 0.58427 0.666667
33 P50 0.577778 0.724138
34 OZ2 0.577778 0.666667
35 42H 0.574713 0.892857
36 AGA 0.571429 0.678571
37 B7N 0.571429 0.622951
38 PCK 0.571429 0.859649
39 7PH 0.551282 0.672727
40 3PH 0.551282 0.672727
41 6PH 0.551282 0.672727
42 LPP 0.551282 0.672727
43 F57 0.551282 0.672727
44 7P9 0.544304 0.672727
45 PEH 0.535714 0.711864
46 8PE 0.535714 0.711864
47 PEV 0.535714 0.711864
48 PTY 0.535714 0.711864
49 PEF 0.535714 0.711864
50 PEK 0.531915 0.728814
51 EPH 0.53 0.728814
52 9PE 0.529412 0.711864
53 PEE 0.511628 0.728814
54 PD7 0.506329 0.672727
55 CD4 0.505882 0.672727
56 3PC 0.505747 0.96
57 LHG 0.494253 0.649123
58 PFS 0.494253 0.98
59 M7U 0.494253 0.672727
60 PGT 0.494253 0.649123
61 8ND 0.493827 0.618182
62 PIZ 0.489362 0.606557
63 P5S 0.483146 0.694915
64 IP9 0.478723 0.606557
65 PC5 0.476744 0.87037
66 PII 0.472527 0.606557
67 LPC 0.471264 0.875
68 LP3 0.471264 0.875
69 LAP 0.471264 0.875
70 T7X 0.470588 0.622951
71 NKP 0.470588 0.660714
72 OPC 0.469388 0.909091
73 44E 0.4625 0.672727
74 CN3 0.462366 0.672727
75 CN6 0.44086 0.672727
76 P42 0.44086 0.854545
77 PGK 0.438776 0.616667
78 3XU 0.425743 0.761905
79 DGG 0.425743 0.616667
80 S12 0.416667 0.694915
81 44G 0.41573 0.649123
82 DPV 0.415584 0.86
83 PGM 0.413793 0.660714
84 PSF 0.406593 0.694915
Ligand no: 2; Ligand: PLM; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 EW8 1 1
3 TDA 1 1
4 F15 1 1
5 PLM 1 1
6 STE 1 1
7 X90 1 1
8 DAO 1 1
9 KNA 1 1
10 DCR 1 1
11 F23 1 1
12 11A 1 1
13 DKA 1 1
14 OCA 0.956522 1
15 SHV 0.833333 0.952381
16 KTC 0.793103 0.875
17 AZ1 0.73913 0.64
18 6NA 0.72 0.904762
19 ELA 0.71875 0.954545
20 OLA 0.71875 0.954545
21 NER 0.71875 0.954545
22 VCA 0.666667 0.954545
23 PAM 0.666667 0.954545
24 PML 0.625 0.6
25 3LA 0.606061 0.8
26 LEA 0.6 0.809524
27 MYZ 0.588235 0.909091
28 12H 0.586207 0.615385
29 ODD 0.567568 0.913043
30 BRC 0.566667 0.666667
31 14V 0.555556 0.740741
32 M12 0.545455 0.869565
33 14U 0.542857 0.703704
34 EIC 0.538462 0.913043
35 EOD 0.538462 0.7
36 D0G 0.5 0.954545
37 BMJ 0.5 0.954545
38 BNV 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 FTT 0.459459 0.807692
42 HXD 0.459459 0.807692
43 56S 0.459459 0.653846
44 ODT 0.452381 0.782609
45 3X1 0.444444 0.818182
46 LNL 0.44186 0.826087
47 9J6 0.441176 0.666667
48 OOA 0.441176 0.76
49 CUY 0.435897 0.68
50 6UL 0.435897 0.68
51 CNS 0.435897 0.68
52 5UF 0.432432 0.807692
53 243 0.428571 0.807692
54 1QW 0.418605 0.606061
55 GYM 0.418605 0.606061
56 O8N 0.413793 0.75
57 1DO 0.413793 0.75
58 PL3 0.413793 0.75
59 OC9 0.413793 0.75
60 DE1 0.413793 0.75
61 F09 0.413793 0.75
62 T25 0.403846 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6BMS; Ligand: PLM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6bms.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6BMS; Ligand: POV; 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: 6bms.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6BMS; Ligand: PLM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6bms.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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