Receptor
PDB id Resolution Class Description Source Keywords
3KXC 2 Å NON-ENZYME: OTHER MUTANT TRANSPORT PROTEIN HOMO SAPIENS HETERODIMER ENDOPLASMIC RETICULUM ER-GOLGI TRANSPORT GOLGAPPARATUS LIPOPROTEIN PALMITATE TRANSPORT TRANSPORT PRO
Ref.: CHARACTERIZATION OF THE SELF-PALMITOYLATION ACTIVIT TRANSPORT PROTEIN PARTICLE COMPONENT BET3 CELL.MOL.LIFE SCI. V. 67 2653 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLM A:181;
Valid;
none;
submit data
256.424 C16 H32 O2 CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3KXC 2 Å NON-ENZYME: OTHER MUTANT TRANSPORT PROTEIN HOMO SAPIENS HETERODIMER ENDOPLASMIC RETICULUM ER-GOLGI TRANSPORT GOLGAPPARATUS LIPOPROTEIN PALMITATE TRANSPORT TRANSPORT PRO
Ref.: CHARACTERIZATION OF THE SELF-PALMITOYLATION ACTIVIT TRANSPORT PROTEIN PARTICLE COMPONENT BET3 CELL.MOL.LIFE SCI. V. 67 2653 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3KXC - PLM C16 H32 O2 CCCCCCCCCC....
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 3KXC - PLM C16 H32 O2 CCCCCCCCCC....
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 3KXC - PLM C16 H32 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PLM; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 F23 1 1
3 11A 1 1
4 STE 1 1
5 KNA 1 1
6 TDA 1 1
7 DCR 1 1
8 DAO 1 1
9 DKA 1 1
10 PLM 1 1
11 F15 1 1
12 OCA 0.956522 1
13 SHV 0.833333 0.952381
14 KTC 0.793103 0.875
15 AZ1 0.73913 0.64
16 6NA 0.72 0.904762
17 NER 0.71875 0.954545
18 OLA 0.71875 0.954545
19 ELA 0.71875 0.954545
20 VCA 0.666667 0.954545
21 PAM 0.666667 0.954545
22 PML 0.625 0.6
23 3LA 0.606061 0.8
24 LEA 0.6 0.809524
25 MYZ 0.588235 0.909091
26 12H 0.586207 0.615385
27 ODD 0.567568 0.913043
28 BRC 0.566667 0.666667
29 14V 0.555556 0.740741
30 M12 0.545455 0.869565
31 14U 0.542857 0.703704
32 EIC 0.538462 0.913043
33 EOD 0.538462 0.7
34 BUA 0.48 0.666667
35 RCL 0.468085 0.84
36 HXD 0.459459 0.807692
37 56S 0.459459 0.653846
38 ODT 0.452381 0.782609
39 3X1 0.444444 0.818182
40 LNL 0.44186 0.826087
41 CNS 0.435897 0.68
42 6UL 0.435897 0.68
43 5UF 0.432432 0.807692
44 243 0.428571 0.807692
45 GYM 0.418605 0.606061
46 PL3 0.413793 0.75
47 O8N 0.413793 0.75
48 1DO 0.413793 0.75
49 F09 0.413793 0.75
50 OC9 0.413793 0.75
51 DE1 0.413793 0.75
52 T25 0.403846 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3KXC; Ligand: PLM; Similar sites found: 67
This union binding pocket(no: 1) in the query (biounit: 3kxc.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5AAV GW5 0.005672 0.42623 2.53165
2 4MGA 27L 0.03197 0.40369 2.53165
3 3G58 988 0.01852 0.40693 2.57732
4 4ZOM 4Q3 0.02447 0.40724 3.09278
5 5N53 8NB 0.02069 0.4136 3.16456
6 4O4Z N2O 0.005811 0.416 3.24675
7 4AIG FLX 0.01022 0.41976 3.60825
8 2BJ4 OHT 0.001898 0.40091 3.60825
9 1RL4 BL5 0.0003071 0.47342 3.7234
10 4XCP PLM 0.01152 0.42888 3.79747
11 1XX4 BAM 0.009996 0.41752 4.12371
12 3V1S 0LH 0.01999 0.41162 4.12371
13 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.004126 0.44415 4.43038
14 2QCX PF1 0.02923 0.40582 4.43038
15 3RET SAL 0.007334 0.41865 4.9505
16 3RET PYR 0.007334 0.41865 4.9505
17 1YRX FMN 0.01289 0.4035 4.95868
18 2Z9I GLY ALA THR VAL 0.005441 0.44769 5.06329
19 3WMX THR 0.008479 0.42231 5.06329
20 1XMY ROL 0.01242 0.41981 5.06329
21 1XM4 PIL 0.0121 0.41213 5.06329
22 2WH8 II2 0.01239 0.41163 5.06329
23 1XMU ROF 0.01777 0.40043 5.06329
24 3WYJ H78 0.007997 0.42521 5.15464
25 5K53 STE 0.003752 0.41717 5.15464
26 2AF6 BRU 0.02341 0.4108 5.42636
27 3KYQ DPV 0.01138 0.42634 5.6701
28 3B9Z CO2 0.01012 0.44244 6.32911
29 5NGL NOJ BGC 0.01638 0.41368 6.32911
30 3GN8 DEX 0.00931 0.40005 6.32911
31 1LQY BB2 0.00786 0.40988 6.52174
32 3TDC 0EU 0.003318 0.48018 6.96203
33 4M51 BEZ 0.01673 0.41819 6.96203
34 2C1Q BTN 0.007255 0.41146 7.14286
35 3KU0 ADE 0.01218 0.42497 7.2165
36 4OAS 2SW 0.008161 0.41645 7.29167
37 5HCV 60R 0.004548 0.41355 8.24742
38 1DL2 NAG NAG BMA 0.01104 0.40133 8.76289
39 4J6C STR 0.0105 0.42354 9.27835
40 4Q86 AMP 0.008348 0.41599 9.27835
41 4UCC ZKW 0.04844 0.40183 9.27835
42 3BF8 MLA 0.02724 0.40929 9.49367
43 2V5E SCR 0.002643 0.45351 9.90099
44 2Q4G CIT 0.0248 0.4086 10.1266
45 3FAL REA 0.00372 0.43258 10.3093
46 4I90 CHT 0.0299 0.40281 10.3093
47 4XDY HIO 0.01953 0.41198 11.3924
48 4JE7 BB2 0.006162 0.41117 11.3924
49 5BVE 4VG 0.02186 0.40293 11.8557
50 4DR9 BB2 0.01242 0.40426 12.0253
51 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 0.01589 0.41024 12.381
52 1I0B PEL 0.02456 0.41762 12.8866
53 5HCN DAO 0.009815 0.4297 13.0268
54 3V78 ET 0.01916 0.40242 13.2911
55 5OCA 9QZ 0.01435 0.43701 13.4021
56 3HW5 AMP 0.01477 0.42433 13.9241
57 1VBO MAN MAN MAN 0.03111 0.40241 14.094
58 2Y69 CHD 0.01773 0.41703 14.2857
59 3P9T TCL 0.01186 0.41657 14.9485
60 3RLF MAL 0.003937 0.44518 15.8228
61 1J78 VDY 0.02933 0.40072 16.4948
62 3TL1 JRO 0.002968 0.45678 17.0886
63 4B1V LAB 0.0206 0.40462 18.3544
64 2FDW D3G 0.01672 0.41322 18.5567
65 3N7S 3N7 0.02959 0.40953 19.7917
66 1TV5 N8E 0.0276 0.41578 21.134
67 4F4S EFO 0.01254 0.42413 27.6316
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