-->
Receptor
PDB id Resolution Class Description Source Keywords
2YGN 1.85 Å NON-ENZYME: OTHER WIF DOMAIN OF HUMAN WNT INHIBITORY FACTOR 1 IN COMPLEX WITH 1,2-DIPALMITOYLPHOSPHATIDYLCHOLINE HOMO SAPIENS SIGNALING PROTEIN WNT SIGNALING PATHWAY WNT ANTAGONIST MOCANCER GLYCOSAMINOGLYCAN
Ref.: MODULAR MECHANISM OF WNT SIGNALING INHIBITION BY WN INHIBITORY FACTOR 1 NAT.STRUCT.MOL.BIOL. V. 18 886 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1181;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
NAG A:1180;
Part of Protein;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
PCF A:1179;
Valid;
none;
submit data
734.039 C40 H80 N O8 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YGN 1.85 Å NON-ENZYME: OTHER WIF DOMAIN OF HUMAN WNT INHIBITORY FACTOR 1 IN COMPLEX WITH 1,2-DIPALMITOYLPHOSPHATIDYLCHOLINE HOMO SAPIENS SIGNALING PROTEIN WNT SIGNALING PATHWAY WNT ANTAGONIST MOCANCER GLYCOSAMINOGLYCAN
Ref.: MODULAR MECHANISM OF WNT SIGNALING INHIBITION BY WN INHIBITORY FACTOR 1 NAT.STRUCT.MOL.BIOL. V. 18 886 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2YGN - PCF C40 H80 N O8 P CCCCCCCCCC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 2YGO - PCF C40 H80 N O8 P CCCCCCCCCC....
2 2YGP - PCF C40 H80 N O8 P CCCCCCCCCC....
3 2YGN - PCF C40 H80 N O8 P CCCCCCCCCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2YGO - PCF C40 H80 N O8 P CCCCCCCCCC....
2 2YGP - PCF C40 H80 N O8 P CCCCCCCCCC....
3 2YGN - PCF C40 H80 N O8 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PCF; Similar ligands found: 88
No: Ligand ECFP6 Tc MDL keys Tc
1 PC1 1 1
2 PCF 1 1
3 MC3 1 1
4 POV 0.873239 0.98
5 L9R 0.873239 0.98
6 DLP 0.769231 0.98
7 3PE 0.768116 0.811321
8 PLD 0.732394 0.924528
9 HGP 0.732394 0.924528
10 LIO 0.732394 0.924528
11 HGX 0.732394 0.924528
12 PC7 0.732394 0.924528
13 6PL 0.732394 0.924528
14 CDL 0.714286 0.745098
15 XP5 0.680556 0.924528
16 PX2 0.661765 0.730769
17 PX8 0.661765 0.730769
18 PCW 0.65 0.907407
19 AGA 0.64 0.690909
20 PCK 0.634146 0.875
21 3PH 0.623188 0.685185
22 LPP 0.623188 0.685185
23 F57 0.623188 0.685185
24 7PH 0.623188 0.685185
25 6PH 0.623188 0.685185
26 7P9 0.614286 0.685185
27 PEV 0.6 0.724138
28 8PE 0.6 0.724138
29 PEF 0.6 0.724138
30 PEH 0.6 0.724138
31 PTY 0.6 0.724138
32 PSC 0.597701 0.907407
33 9PE 0.592105 0.724138
34 P3A 0.588235 0.678571
35 PEE 0.571429 0.741379
36 PD7 0.571429 0.685185
37 CD4 0.565789 0.685185
38 3PC 0.564103 0.979592
39 8ND 0.555556 0.62963
40 PIE 0.551724 0.644068
41 PFS 0.551282 1
42 LHG 0.551282 0.660714
43 M7U 0.551282 0.685185
44 D21 0.551282 0.672727
45 PGT 0.551282 0.660714
46 P5S 0.5375 0.706897
47 LOP 0.535714 0.711864
48 L9Q 0.535714 0.711864
49 6OU 0.535714 0.711864
50 PC5 0.532468 0.886792
51 LAP 0.525641 0.890909
52 LP3 0.525641 0.890909
53 LPC 0.525641 0.890909
54 PII 0.52439 0.616667
55 PIZ 0.523256 0.616667
56 44E 0.521127 0.685185
57 CN3 0.511905 0.685185
58 PIF 0.511905 0.606557
59 IP9 0.511628 0.616667
60 ZPE 0.505747 0.711864
61 GP7 0.505495 0.711864
62 PIO 0.494253 0.606557
63 D3D 0.494253 0.649123
64 52N 0.494253 0.606557
65 PGW 0.494253 0.649123
66 DR9 0.488636 0.649123
67 PGV 0.488636 0.649123
68 CN6 0.488095 0.685185
69 PEK 0.483516 0.711864
70 PGK 0.483146 0.627119
71 P6L 0.483146 0.649123
72 OZ2 0.477778 0.649123
73 P50 0.477778 0.706897
74 B7N 0.472527 0.606557
75 42H 0.471264 0.875
76 P42 0.470588 0.87037
77 DPV 0.470588 0.877551
78 DGG 0.467391 0.627119
79 44G 0.4625 0.660714
80 PGM 0.461538 0.672727
81 PSF 0.451219 0.706897
82 EPH 0.44 0.711864
83 PDK 0.431373 0.714286
84 T7X 0.424242 0.606557
85 OCB 0.413333 0.788462
86 NKO 0.407895 0.654545
87 NKN 0.407895 0.654545
88 43Y 0.405063 0.886792
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YGN; Ligand: PCF; Similar sites found with APoc: 82
This union binding pocket(no: 1) in the query (biounit: 2ygn.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
1 4CSD MFU None
2 2P7Q GG6 None
3 2BS5 BGC GAL FUC None
4 4NPL AKG 1.28205
5 3DAK ANP 1.28205
6 1OFZ FUC 1.28205
7 4ZU4 4TG 1.35135
8 1W6P NDG GAL 1.49254
9 3OYW TDG 1.49254
10 1GPM AMP 1.92308
11 4BXF AKG 1.92308
12 1EB1 ASP TYR GLU PRO ILE PRO GLU GLU ALA PHE 1.92308
13 3A16 PXO 1.92308
14 3JZ0 CLY 2.5641
15 1OIJ AKG 3.20513
16 5JSP DQY 3.20513
17 5Y77 KYN 3.20513
18 2F57 23D 3.20513
19 1ZY5 ANP 3.20513
20 3AVR OGA 3.20513
21 5OO5 UUA 3.22581
22 2A1X AKG 3.84615
23 3HMO STU 3.84615
24 1SDW IYT 3.84615
25 5FS0 5JC 3.84615
26 4XPQ FUL 3.84615
27 1GWC GTX 3.84615
28 6B9T 2HE 3.84615
29 6EZ6 C5Z 3.84615
30 1ULE GLA GAL NAG 4
31 5W7B MYR 4.48718
32 4FFG LBS 4.48718
33 4LIT AKG 4.48718
34 4LS3 HIS 4.48718
35 5O9W AKG 4.48718
36 4M26 AKG 4.48718
37 4CYI ATP 4.48718
38 1T0S BML 5.12821
39 3N9O OGA 5.12821
40 3N9P OGA 5.12821
41 3N9Q OGA 5.12821
42 3RUG DB6 5.12821
43 3PUR 2HG 5.12821
44 4UWM FMN 5.12821
45 6FA4 D1W 5.12821
46 4UHL VFV 5.12821
47 3ZW0 FUC 5.74713
48 4D4U FUC NDG GAL FUC 5.76923
49 4M1U A2G MBG 5.76923
50 3SCH TB6 5.76923
51 4D52 GIV 5.76923
52 5I0U DCY 5.76923
53 5AE2 FAD 5.76923
54 5AE2 FYC 5.76923
55 4IA6 EIC 5.76923
56 6B9R 2HE 5.76923
57 1QY1 PRZ 5.76923
58 1O6U PLM 5.76923
59 5HV0 AKG 5.76923
60 4WOE ADP 6.41026
61 3G6M CFF 6.41026
62 3HQR OGA 6.41026
63 1C5C TK4 7.05128
64 5W0N UPU 7.05128
65 4G10 GSH 7.05128
66 5AIG VPR 7.2
67 3ITA AIC 7.69231
68 5X7Q GLC GLC GLC GLC 8.33333
69 5X7Q GLC GLC GLC GLC GLC 8.33333
70 6FOF LAT 9.61539
71 6GNO XDI 10.3704
72 1A78 TDG 10.4478
73 4QXB OGA 10.8974
74 4XCB AKG 11.5385
75 4JH6 FCN 12.3188
76 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 13.1579
77 1OKE BOG 14.7436
78 2XG5 EC5 16.0256
79 2XG5 EC2 16.0256
80 4WOV 3SM 18.5897
81 5ZCO CHD 20.339
82 5Z84 CHD 20.339
Pocket No.: 2; Query (leader) PDB : 2YGN; Ligand: PCF; 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: 2ygn.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback