Receptor
PDB id Resolution Class Description Source Keywords
4UZL 2.1 Å NON-ENZYME: OTHER STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM I MYRIST COMPLEX - 2.1A HOMO SAPIENS HYDROLASE WNT ESTERASE EXTRACELLULAR ALPHA/BETA HYDROLAS
Ref.: NOTUM DEACYLATES WNT PROTEINS TO SUPPRESS SIGNALLIN ACTIVITY. NATURE V. 519 187 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MYZ B:1453;
A:1452;
Valid;
Valid;
none;
none;
submit data
226.355 C14 H26 O2 CCCC/...
NAG B:1452;
Invalid;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UYW 1.7 Å NON-ENZYME: OTHER STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM I HEPARI FRAGMENT COMPLEX - 1.7A HOMO SAPIENS HYDROLASE WNT ESTERASE EXTRACELLULAR ALPHA/BETA HYDROLAS
Ref.: NOTUM DEACYLATES WNT PROTEINS TO SUPPRESS SIGNALLIN ACTIVITY. NATURE V. 519 187 2015
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4UZL - MYZ C14 H26 O2 CCCC/C=CCC....
2 4UZ9 - SCR C12 H22 O35 S8 C([C@@H]1[....
3 4UZ6 - SCR C12 H22 O35 S8 C([C@@H]1[....
4 4UZQ - CYS HIS GLY VAL SER GLY SER CYS PAM n/a n/a
5 4UYW Kd = 6.4 uM H1S C12 H15 N O19 S3 C1=C(O[C@H....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4UZL - MYZ C14 H26 O2 CCCC/C=CCC....
2 4UZ9 - SCR C12 H22 O35 S8 C([C@@H]1[....
3 4UZ6 - SCR C12 H22 O35 S8 C([C@@H]1[....
4 4UZQ - CYS HIS GLY VAL SER GLY SER CYS PAM n/a n/a
5 4UYW Kd = 6.4 uM H1S C12 H15 N O19 S3 C1=C(O[C@H....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4UZL - MYZ C14 H26 O2 CCCC/C=CCC....
2 4UZ9 - SCR C12 H22 O35 S8 C([C@@H]1[....
3 4UZ6 - SCR C12 H22 O35 S8 C([C@@H]1[....
4 4UZQ - CYS HIS GLY VAL SER GLY SER CYS PAM n/a n/a
5 4UYW Kd = 6.4 uM H1S C12 H15 N O19 S3 C1=C(O[C@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MYZ; Similar ligands found: 46
No: Ligand ECFP6 Tc MDL keys Tc
1 MYZ 1 1
2 OLA 0.852941 0.954545
3 NER 0.852941 0.954545
4 VCA 0.852941 0.954545
5 ELA 0.852941 0.954545
6 PAM 0.852941 0.954545
7 EIC 0.7 0.913043
8 ODD 0.65 0.913043
9 LNL 0.627907 0.826087
10 F15 0.588235 0.909091
11 EW8 0.588235 0.909091
12 F23 0.588235 0.909091
13 DCR 0.588235 0.909091
14 PLM 0.588235 0.909091
15 X90 0.588235 0.909091
16 DKA 0.588235 0.909091
17 TDA 0.588235 0.909091
18 STE 0.588235 0.909091
19 11A 0.588235 0.909091
20 DAO 0.588235 0.909091
21 KNA 0.588235 0.909091
22 MYR 0.588235 0.909091
23 RCL 0.571429 0.84
24 ODT 0.568182 0.863636
25 OCA 0.558824 0.909091
26 AZ1 0.548387 0.64
27 10X 0.54 0.612903
28 10Y 0.54 0.612903
29 SHV 0.529412 0.863636
30 T25 0.528302 0.677419
31 KTC 0.5 0.8
32 6NA 0.5 0.818182
33 243 0.5 0.807692
34 PML 0.46875 0.6
35 ACD 0.466667 0.913043
36 3X1 0.463415 0.818182
37 12H 0.459459 0.615385
38 LEA 0.454545 0.809524
39 BRC 0.447368 0.666667
40 EOD 0.446809 0.645161
41 T24 0.446429 0.730769
42 M12 0.439024 0.791667
43 VA 0.425532 0.653846
44 BMJ 0.409091 0.869565
45 BNV 0.409091 0.869565
46 D0G 0.409091 0.869565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4UYW; Ligand: H1S; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4uyw.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
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