Receptor
PDB id Resolution Class Description Source Keywords
1O6U 2.05 Å EC: 2.-.-.- THE CRYSTAL STRUCTURE OF HUMAN SUPERNATANT PROTEIN FACTOR HOMO SAPIENS LIPID TRANSFER CRAL_TRIO LIPID BINDING TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF HUMAN SUPERNATANT PROTEIN FACTOR STRUCTURE V. 10 1533 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PLM A:1398;
C:1396;
E:1397;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
256.424 C16 H32 O2 CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1O6U 2.05 Å EC: 2.-.-.- THE CRYSTAL STRUCTURE OF HUMAN SUPERNATANT PROTEIN FACTOR HOMO SAPIENS LIPID TRANSFER CRAL_TRIO LIPID BINDING TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF HUMAN SUPERNATANT PROTEIN FACTOR STRUCTURE V. 10 1533 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 1O6U - 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 211 families.
1 1O6U - 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 166 families.
1 1O6U - 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 : 1O6U; Ligand: PLM; Similar sites found: 44
This union binding pocket(no: 1) in the query (biounit: 1o6u.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VWA PTY 0.0043 0.44113 1.9802
2 3VQ2 LP4 LP5 MYR DAO 0.02711 0.40928 2.08333
3 4POJ 2VP 0.01438 0.4033 2.5974
4 4ZOM 4Q3 0.0275 0.40529 2.66667
5 3S7O LBV 0.01429 0.41287 2.91545
6 3OPT AKG 0.01712 0.40495 2.94906
7 4BJZ P3A 0.03446 0.42138 2.97767
8 5IR4 ZPE 0.03918 0.40117 2.97767
9 3E8T UQ8 0.02983 0.41566 3.18182
10 1XZ3 ICF 0.005954 0.42665 3.44828
11 3FRQ ERY 0.005798 0.4185 3.58974
12 4URG C2E 0.01437 0.40856 3.59281
13 2QZT PLM 0.01257 0.41178 3.6036
14 1YMT DR9 0.01901 0.40314 3.65854
15 5J32 IPM 0.01648 0.40549 3.72208
16 1YP0 PEF 0.01438 0.40173 3.76569
17 3TL1 JRO 0.01953 0.40025 4.40252
18 5HCN DAO 0.004162 0.43391 4.98084
19 5DXG EST 0.009225 0.40335 4.98084
20 5DX3 EST 0.009999 0.40173 4.98084
21 4MGA 27L 0.007682 0.42658 5.09804
22 2A1L PCW 0.026 0.41106 5.55556
23 3ANP DCC 0.009308 0.41805 6.37255
24 3RV5 DXC 0.003919 0.43982 6.74157
25 3KYO LYS LEU PRO ALA GLN PHE TYR ILE LEU 0.01823 0.4027 7
26 5U98 1KX 0.03795 0.41218 7.07071
27 5L2J 70E 0.0143 0.43881 7.14286
28 5L2J 6UL 0.01354 0.43881 7.14286
29 3L9R L9R 0.01283 0.4175 7.14286
30 3L1N PLM 0.01035 0.41411 7.2165
31 2OVD DAO 0.01642 0.40617 8.24176
32 3FAL LO2 0.02072 0.40502 8.26446
33 4P3H 25G 0.004924 0.42355 8.80829
34 5OCA 9QZ 0.01286 0.41424 8.82353
35 1XX4 BAM 0.02815 0.40386 9.57854
36 4J7Q B7N 0.0281 0.40182 10.8108
37 4J26 EST 0.007324 0.40799 11.25
38 4J24 EST 0.005731 0.4032 11.25
39 1FDQ HXA 0.007692 0.42202 11.4504
40 4XCP PLM 0.01295 0.41564 15.2941
41 3HX3 RET 0.001235 0.44351 28.7975
42 3Q8G PEE 0.0002747 0.51936 42.5
43 1R5L VIV 0.005271 0.42543 44.6565
44 3W68 VIV 0.01407 0.40055 44.7368
Pocket No.: 2; Query (leader) PDB : 1O6U; Ligand: PLM; Similar sites found: 19
This union binding pocket(no: 2) in the query (biounit: 1o6u.bio3) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4WG0 CHD 0.0166 0.40524 None
2 3T03 3T0 0.006277 0.40531 2.11268
3 2HFP NSI 0.005644 0.41852 2.12766
4 4RW3 PLM 0.0394 0.40542 2.64901
5 4XCB AKG 0.002847 0.44444 2.68199
6 4P7X AKG 0.004095 0.41567 3.08219
7 4P7X YCP 0.004095 0.4077 3.08219
8 3PG7 PTY 0.0001362 0.40172 3.90625
9 3MTX PGT 0.01824 0.40877 3.97351
10 5ML3 DL3 0.002573 0.45089 4.02685
11 5XNA SHV 0.03076 0.4011 4.34783
12 4QDF 30Q 0.002978 0.41968 4.35897
13 2QO4 CHD 0.007293 0.42069 6.34921
14 4B7P 9UN 0.03117 0.40558 6.52174
15 2XG5 EC5 0.01541 0.41278 8.09249
16 2XG5 EC2 0.01541 0.41278 8.09249
17 3KDU NKS 0.01192 0.4198 10.4693
18 4GGZ BTN 0.007378 0.41001 13.0435
19 1AUA BOG 0.001686 0.45587 43.5811
Pocket No.: 3; Query (leader) PDB : 1O6U; Ligand: PLM; Similar sites found: 12
This union binding pocket(no: 3) in the query (biounit: 1o6u.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3CH6 311 0.03528 0.41325 2.44755
2 3CH6 NAP 0.03528 0.41325 2.44755
3 2ET1 GLV 0.01707 0.40666 3.9801
4 3OV6 MK0 0.01458 0.40776 4.78589
5 1RTW MP5 0.0201 0.40165 5
6 4MG8 27J 0.005974 0.41016 5.09804
7 4TUZ 36J 0.008008 0.40061 5.09804
8 3UUA 0CZ 0.01114 0.4057 5.17928
9 2HZQ STR 0.02202 0.40193 6.89655
10 2Y69 CHD 0.02473 0.40134 12.5
11 2DYR PGV 0.02823 0.40057 17.4312
12 2X32 OTP 0.02548 0.41077 20.1117
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