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 1256 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 1068 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 922 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: 79
No: Ligand ECFP6 Tc MDL keys Tc
1 PCF 1 1
2 PC1 1 1
3 MC3 1 1
4 L9R 0.873239 0.98
5 DLP 0.769231 0.98
6 3PE 0.768116 0.811321
7 HGP 0.732394 0.924528
8 LIO 0.732394 0.924528
9 PC7 0.732394 0.924528
10 PLD 0.732394 0.924528
11 HGX 0.732394 0.924528
12 6PL 0.732394 0.924528
13 CDL 0.714286 0.745098
14 XP5 0.680556 0.924528
15 PX2 0.661765 0.730769
16 PCW 0.65 0.907407
17 AGA 0.64 0.690909
18 PCK 0.634146 0.875
19 6PH 0.623188 0.685185
20 7PH 0.623188 0.685185
21 3PH 0.623188 0.685185
22 LPP 0.623188 0.685185
23 7P9 0.614286 0.685185
24 PEF 0.6 0.724138
25 PEH 0.6 0.724138
26 PEV 0.6 0.724138
27 PTY 0.6 0.724138
28 8PE 0.6 0.724138
29 PSC 0.597701 0.907407
30 9PE 0.592105 0.724138
31 P3A 0.588235 0.678571
32 PD7 0.571429 0.685185
33 PEE 0.571429 0.741379
34 CD4 0.565789 0.685185
35 3PC 0.564103 0.979592
36 8ND 0.555556 0.62963
37 PIE 0.551724 0.644068
38 PFS 0.551282 1
39 PGT 0.551282 0.660714
40 M7U 0.551282 0.685185
41 LHG 0.551282 0.660714
42 P5S 0.5375 0.706897
43 L9Q 0.535714 0.711864
44 LOP 0.535714 0.711864
45 PC5 0.532468 0.886792
46 LP3 0.525641 0.890909
47 LAP 0.525641 0.890909
48 LPC 0.525641 0.890909
49 PII 0.52439 0.616667
50 PIZ 0.523256 0.616667
51 44E 0.521127 0.685185
52 CN3 0.511905 0.685185
53 PIF 0.511905 0.606557
54 IP9 0.511628 0.616667
55 ZPE 0.505747 0.711864
56 GP7 0.505495 0.711864
57 PGW 0.494253 0.649123
58 52N 0.494253 0.606557
59 PIO 0.494253 0.606557
60 DR9 0.488636 0.649123
61 PGV 0.488636 0.649123
62 CN6 0.488095 0.685185
63 PEK 0.483516 0.711864
64 PGK 0.483146 0.627119
65 P6L 0.483146 0.649123
66 OZ2 0.477778 0.649123
67 B7N 0.472527 0.606557
68 42H 0.471264 0.875
69 P42 0.470588 0.87037
70 DPV 0.470588 0.877551
71 DGG 0.467391 0.627119
72 44G 0.4625 0.660714
73 PGM 0.461538 0.672727
74 PSF 0.451219 0.706897
75 EPH 0.44 0.711864
76 PDK 0.431373 0.714286
77 T7X 0.424242 0.606557
78 OCB 0.413333 0.788462
79 NKN 0.407895 0.654545
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YGO; Ligand: PCF; Similar sites found: 105
This union binding pocket(no: 1) in the query (biounit: 2ygo.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F4S EFO 0.001571 0.45013 None
2 3BY8 MLT 0.004375 0.4488 None
3 2QLX RM4 0.004397 0.44869 None
4 1SJW NGV 0.002667 0.41609 None
5 3KYQ DPV 0.0447 0.40013 None
6 4IAE 1DX 0.0001816 0.44111 1.06383
7 2YVF FAD 0.003695 0.40425 1.06383
8 2YVF NAD 0.003882 0.40425 1.06383
9 2Q37 3AL 0.001761 0.45407 1.10497
10 1EYE PMM 0.002515 0.42587 1.59574
11 2CSN CKI 0.0002053 0.40449 1.59574
12 3SFI 3SF 0.0009693 0.40679 2.11864
13 3I28 34N 0.0007046 0.41727 2.12766
14 2V6O FAD 0.004055 0.41002 2.12766
15 1JA9 NDP 0.004979 0.40461 2.12766
16 1YRX FMN 0.003146 0.41758 2.47934
17 1Z44 NPO 0.003415 0.48864 2.65957
18 3MAG 3MA 0.002694 0.48399 2.65957
19 2V5E SCR 0.003628 0.47697 2.65957
20 2R40 EPH 0.00004118 0.43461 2.65957
21 3DGB MUC 0.001613 0.43352 2.65957
22 1UF5 CDT 0.003488 0.42486 2.65957
23 1M5B BN1 0.00083 0.423 2.65957
24 1V6A TRE 0.01049 0.41925 2.65957
25 2Z9V PXM 0.00809 0.41918 2.65957
26 1V7R CIT 0.003684 0.47661 2.68817
27 1N9L FMN 0.002362 0.41008 2.75229
28 1VDC FAD 0.0002985 0.42993 3.19149
29 4IXW IXW 0.003881 0.42785 3.19149
30 1TDF FAD 0.001123 0.41094 3.19149
31 1GWC GTX 0.02643 0.40447 3.19149
32 3T31 DCQ 0.003213 0.40403 3.19149
33 3HMO STU 0.01689 0.40348 3.19149
34 3T31 FAD 0.003163 0.40272 3.19149
35 3S9K CIT 0.007533 0.47782 3.38983
36 4F8L GAL 0.02804 0.43639 3.44828
37 1C1L GAL BGC 0.008188 0.43567 3.64964
38 4OYA 1VE 0.00008332 0.47948 3.7234
39 3ZPG 5GP 0.009357 0.44656 3.7234
40 4E28 0MZ 0.007833 0.42496 3.7234
41 1PEA ACM 0.01991 0.4229 3.7234
42 2YB9 HA0 0.0002354 0.41193 3.7234
43 1QO0 BMD 0.02031 0.41122 3.7234
44 2F2U M77 0.009518 0.40702 3.7234
45 1H82 FAD 0.002865 0.40564 3.7234
46 4MP8 MLI 0.001023 0.40267 3.7234
47 4MP8 NAD 0.001023 0.40267 3.7234
48 1X1T NAD 0.00657 0.40181 3.7234
49 3WO0 ALA 0.001042 0.40122 3.7234
50 3WO0 ADP 0.001042 0.40122 3.7234
51 3FC4 EDO 0.003392 0.40097 3.7234
52 1SS4 GSH 0.005813 0.47667 3.92157
53 3PUR 2HG 0.005688 0.45047 4.25532
54 3QV9 QV7 0.007648 0.42543 4.25532
55 2XCG XCG 0.0002017 0.41386 4.25532
56 1NUS APC 0.0007503 0.41017 4.25532
57 2CKM AA7 0.001643 0.40085 4.25532
58 4CS4 AXZ 0.0001004 0.44036 4.37956
59 4CS4 ANP 0.0004947 0.41213 4.37956
60 1T0S BML 0.02913 0.41455 4.65116
61 4DEM YS4 0.000662 0.44022 4.78723
62 4CCO OGA 0.004956 0.42845 4.78723
63 1Y42 TYR 0.007363 0.42097 4.78723
64 3F3E LEU 0.0006706 0.40817 4.78723
65 1LVL FAD 0.001115 0.40809 4.78723
66 1SQ5 PAU 0.01488 0.40763 4.78723
67 1Q3Q ANP 0.002534 0.40581 4.78723
68 2IYG FMN 0.006315 0.40998 4.83871
69 1Y9Q MED 0.004342 0.44246 5.20833
70 3P3N AKG 0.0003239 0.49477 5.31915
71 1O9U ADZ 0.001776 0.48413 5.31915
72 2WA4 069 0.0001111 0.47959 5.31915
73 3SHR CMP 0.0006092 0.45582 5.31915
74 2G86 UMP 0.0004244 0.42611 5.31915
75 4FFG LBS 0.01634 0.41736 5.31915
76 3WD1 ST7 0.000696 0.41441 5.31915
77 3UXL CFI 0.001265 0.40434 5.31915
78 2AQJ FAD 0.004139 0.40193 5.31915
79 3HAZ FAD 0.000599 0.40169 5.31915
80 2AQJ TRP 0.0042 0.40101 5.31915
81 1G8S MET 0.01867 0.41293 5.85106
82 2Q2V NAD 0.0004075 0.40941 5.85106
83 1EPB REA 0.01499 0.40593 6.09756
84 3UEC ALA ARG TPO LYS 0.006844 0.43943 6.16438
85 2PP3 LGT 0.0008293 0.43991 6.38298
86 3NFZ 3NF 0.004848 0.41455 6.38298
87 1SJD NPG 0.001022 0.40448 6.38298
88 1RZM E4P 0.003778 0.45186 6.91489
89 3F81 STT 0.006585 0.44702 7.10383
90 2XVF FAD 0.0002635 0.42034 7.44681
91 2R5T ANP 0.00175 0.40723 7.44681
92 2F01 BTQ 0.002078 0.41523 7.87402
93 3AVR OGA 0.04393 0.40127 7.97872
94 1FW1 GSH 0.001135 0.43466 8.51064
95 4LHM AZZ 0.01462 0.41274 8.51064
96 4COQ SAN 0.02204 0.40956 8.51064
97 3E8N VRA 0.00003961 0.4516 8.79765
98 3E8N ATP 0.00003961 0.4516 8.79765
99 3A1I UNU 0.00352 0.4247 10.1064
100 1X54 4AD 0.00004932 0.41745 10.6383
101 2XG5 EC5 0.01762 0.4148 10.6383
102 4FWE FAD 0.00077 0.41305 11.1702
103 2FYU FDN 0.004491 0.40015 11.1702
104 4O8A FAD 0.0004552 0.40515 11.7021
105 2NCD ADP 0.002733 0.44551 13.2979
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