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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;
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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 269 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 237 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 187 families.
1 1O6U - PLM C16 H32 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 1O6U; Ligand: PLM; Similar sites found with APoc: 97
This union binding pocket(no: 1) in the query (biounit: 1o6u.bio2) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3GF2 SAL None
2 2F2G HMH 1.35747
3 2VWA PTY 1.9802
4 3VQ2 LP4 LP5 MYR DAO 2.08333
5 2P4Y C03 2.16606
6 1RM0 NAI 2.23325
7 2YFB SIN 2.32558
8 3CH6 311 2.44755
9 3CH6 NAP 2.44755
10 3SFI 3SF 2.54237
11 3OPT AKG 2.94906
12 4BJZ P3A 2.97767
13 4BJZ FAD 2.97767
14 3E70 GDP 3.04878
15 3E8T UQ8 3.18182
16 4NNB OAA 3.22581
17 4F06 PHB 3.2345
18 3JUQ AKD 3.24324
19 3JUQ AJD 3.24324
20 5AZC PGT 3.33333
21 2GWH PCI 3.3557
22 1XZ3 ICF 3.44828
23 2BHW NEX 3.44828
24 3FRQ ERY 3.58974
25 4URG C2E 3.59281
26 2QZT PLM 3.6036
27 1YMT DR9 3.65854
28 5J32 IPM 3.72208
29 4YDQ ANP 3.72208
30 4YDQ HFG 3.72208
31 1YP0 PEF 3.76569
32 3O01 DXC 3.8961
33 3PG7 PTY 3.90625
34 4G86 BNT 4.22535
35 3TJH SER PRO LEU ASP SER LEU TRP TRP ILE 4.33071
36 3TL1 JRO 4.40252
37 5LWY OLB 4.6729
38 5HCN DAO 4.98084
39 5WGQ EST 4.98084
40 5DXG EST 4.98084
41 5DX3 EST 4.98084
42 5WGD EST 4.98084
43 5HYR EST 5.03876
44 4MGA 27L 5.09804
45 4MG9 27K 5.09804
46 3KFC 61X 5.13834
47 2BP1 FLC 5.55556
48 2A1L PCW 5.55556
49 5Y02 MXN 5.60748
50 4X9D U5P 5.6338
51 5LX9 OLB 5.95534
52 3ANP DCC 6.37255
53 3RV5 DXC 6.74157
54 6GMN F4E 6.79012
55 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 7
56 3KYO LYS LEU PRO ALA GLN PHE TYR ILE LEU 7
57 3GZ9 D32 7.0632
58 5WL1 D3D 7.07071
59 5WL1 CUY 7.07071
60 5U98 1KX 7.07071
61 4NJS G08 7.07071
62 3L9R L9R 7.14286
63 4O4Z N2O 7.14286
64 3L1N PLM 7.2165
65 2OVD DAO 8.24176
66 3FAL LO2 8.26446
67 5UWA 8ND 8.37438
68 5CSD ACD 8.80503
69 4P3H 25G 8.80829
70 3NJQ NJQ 8.80829
71 5OCA 9QZ 8.82353
72 1NU4 MLA 9.27835
73 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 9.52381
74 1XX4 BAM 9.57854
75 3RUG DB6 9.93377
76 3SCM LGN 9.93377
77 5XJ7 87O 9.95025
78 3HUJ AGH 10.0478
79 4IAE 1DX 10.582
80 3OKI OKI 10.7296
81 4J7Q B7N 10.8108
82 4OGQ 7PH 11.1111
83 1U3R 338 11.2033
84 4J24 EST 11.25
85 4J26 EST 11.25
86 1FDQ HXA 11.4504
87 5X80 SAL 11.875
88 4LOC OXM 12.4069
89 2W3L DRO 13.1944
90 5N26 CPT 14.8352
91 1DTL BEP 14.9068
92 4XCP PLM 15.2941
93 3EM0 CHD 16.6667
94 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 19.1919
95 3HX3 RET 28.7975
96 3Q8G PEE 42.5
97 1R5L VIV 44.6565
Pocket No.: 2; Query (leader) PDB : 1O6U; Ligand: PLM; Similar sites found with APoc: 49
This union binding pocket(no: 2) in the query (biounit: 1o6u.bio3) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5ET3 60C None
2 4WG0 CHD None
3 6ADI 9UO 1.48883
4 3NB0 G6P 1.98511
5 3W5N RAM 1.98511
6 2ZI8 SDT 2
7 3T03 3T0 2.11268
8 2HFP NSI 2.12766
9 4W6Z ETF 2.30548
10 2WA4 069 2.5788
11 3RDO BTN 2.61438
12 4RW3 PLM 2.64901
13 4XCB AKG 2.68199
14 6A0S NDP 2.71084
15 5XWV 8H6 2.97767
16 4XJ7 ADE 2.99625
17 4P7X YCP 3.08219
18 4P7X AKG 3.08219
19 5YBN AKG 3.18471
20 5IXG OTP 3.5503
21 2HZL PYR 3.56164
22 5MY8 RXZ 3.91645
23 3MTX PGT 3.97351
24 5ML3 DL3 4.02685
25 3RWP ABQ 4.18006
26 5XNA SHV 4.34783
27 4QDF 30Q 4.35897
28 2OG7 SIN 4.48179
29 2F7A BEZ 4.74138
30 5AAV GW5 5.15873
31 1Y0G 8PP 5.2356
32 3SJ0 DXC 5.6338
33 2YGN PCF 5.76923
34 3RMK BML 6.0241
35 2QO4 CHD 6.34921
36 4B7P 9UN 6.52174
37 1EWF PC1 6.94789
38 2XXP DSL 7.03518
39 2XG5 EC2 8.09249
40 2XG5 EC5 8.09249
41 1T0S BML 8.13953
42 2Y69 CHD 12.5
43 4GGZ BTN 13.0435
44 4MNS 2AX 13.2075
45 5Z84 CHD 17.4312
46 1ZEI CRS 18.8679
47 3SAO NKN 32.5
48 1AUA BOG 43.5811
49 3W68 VIV 44.7368
Pocket No.: 3; Query (leader) PDB : 1O6U; Ligand: PLM; Similar sites found with APoc: 29
This union binding pocket(no: 3) in the query (biounit: 1o6u.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4UDB CV7 1.83824
2 2PSJ CEI 2.19436
3 5NBP BGC BGC BGC 2.20588
4 2R5V HHH 2.2409
5 3D9F N6C 2.97767
6 6AYH C3G 2.98507
7 3ANK NG6 GCD 3.01508
8 1ZZ7 S0H 3.0303
9 2ET1 GLV 3.9801
10 6G5Q EMZ 4.51128
11 3OV6 MK0 4.78589
12 1RTW MP5 5
13 2C91 TLA 5.02959
14 2QA8 GEN 5.03876
15 4MG8 27J 5.09804
16 4TUZ 36J 5.09804
17 3UUA 0CZ 5.17928
18 2R40 EPH 5.32319
19 3F8C HT1 5.55556
20 5Y02 HBX 5.60748
21 6AYI C3G 6.03015
22 2HZQ STR 6.89655
23 5VGS 9A4 7.64331
24 2OI9 GLN LEU SER PRO PHE PRO PHE ASP LEU 8.26446
25 4TWL ASC 9.34959
26 4OGQ UMQ 11.1111
27 5TFZ 7BC 12
28 2DYR PGV 17.4312
29 2X32 OTP 20.1117
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