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Receptor
PDB id Resolution Class Description Source Keywords
2YGO 1.85 Å NON-ENZYME: OTHER WIF DOMAIN-EGF-LIKE DOMAIN 1 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
NA A:1215;
Part of Protein;
none;
submit data
22.99 Na [Na+]
NAG A:1214;
Part of Protein;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
PCF A:1213;
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
2YGO 1.85 Å NON-ENZYME: OTHER WIF DOMAIN-EGF-LIKE DOMAIN 1 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 (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2YGO - PCF C40 H80 N O8 P CCCCCCCCCC....
2 2YGP - 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 : 2YGO; Ligand: PCF; Similar sites found with APoc: 77
This union binding pocket(no: 1) in the query (biounit: 2ygo.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 6F7X MFU None
5 6BU0 IHP None
6 3KYQ DPV None
7 4NPL AKG 1.06383
8 5K21 6QF 1.41844
9 2GPT TLA 1.59574
10 4OCT AKG 2.12766
11 5W10 CMP 2.12766
12 1OIJ AKG 2.65957
13 5JSP DQY 2.65957
14 1ZY5 ANP 2.65957
15 4KBA 1QM 2.65957
16 4ZU4 4TG 2.7027
17 3OYW TDG 2.98507
18 1GPM AMP 3.19149
19 5W7B MYR 3.19149
20 5AE2 FAD 3.19149
21 5AE2 FYC 3.19149
22 5FS0 5JC 3.19149
23 1GWC GTX 3.19149
24 3HMO STU 3.19149
25 6B9T 2HE 3.19149
26 4XPQ FUL 3.19149
27 5OO5 UUA 3.22581
28 3DAK ANP 3.44828
29 5AIG VPR 4
30 3PUR 2HG 4.25532
31 3N9O OGA 4.25532
32 3N9Q OGA 4.25532
33 4UHL VFV 4.25532
34 4CYI ATP 4.25532
35 6FA4 D1W 4.62428
36 1T0S BML 4.65116
37 2A1X AKG 4.78723
38 4D4U FUC 4.78723
39 4D4U FUC NDG GAL FUC 4.78723
40 5I0U DCY 4.78723
41 4IA6 EIC 4.78723
42 4D52 GIV 4.78723
43 4D52 GXL 4.78723
44 4D4U FUC GAL NAG 4.78723
45 3A16 PXO 4.78723
46 4M26 AKG 4.78723
47 3RUG DB6 5.05051
48 1QY1 PRZ 5.17241
49 4FFG LBS 5.31915
50 1OFZ FUC 5.31915
51 4M1U A2G MBG 5.71429
52 1C5C TK4 5.85106
53 5W0N UPU 5.85106
54 4WOE ADP 5.85106
55 4G10 GSH 5.85106
56 5T7I LAT NAG GAL 6.45161
57 5X7Q GLC GLC GLC GLC 6.91489
58 5X7Q GLC GLC GLC GLC GLC 6.91489
59 1OS7 AKG 7.97872
60 5O9W AKG 7.97872
61 3AVR OGA 7.97872
62 5TVM PUT 8.23529
63 3ZGJ RMN 8.51064
64 4QXB OGA 9.04255
65 4XCB AKG 9.57447
66 6GNO XDI 10.3704
67 2XG5 EC5 10.6383
68 2XG5 EC2 10.6383
69 4BXF AKG 10.6383
70 3NV3 GAL NAG MAN 10.8696
71 1OKE BOG 12.234
72 4JH6 FCN 12.3188
73 2HO2 PRO PRO PRO PRO PRO PRO PRO PRO PRO LEU 13.1579
74 3ITA AIC 13.8298
75 5ZCO CHD 21.1009
76 5Z84 CHD 21.1009
77 3ZXE PGZ 27.0677
Pocket No.: 2; Query (leader) PDB : 2YGO; 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: 2ygo.bio1) has 30 residues
No: Leader PDB Ligand Sequence Similarity
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