Receptor
PDB id Resolution Class Description Source Keywords
5MU9 1.3 Å NON-ENZYME: BINDING MOA-E-64 COMPLEX MARASMIUS OREADES PAPAIN-LIKE PROTEASE E-64 INHIBITOR COMPLEX LECTIN CALCIUBINDING SUGAR BINDING PROTEIN
Ref.: FAMILY OF PAPAIN-LIKE FUNGAL CHIMEROLECTINS WITH DI CA(2+)-DEPENDENT ACTIVATION MECHANISM. BIOCHEMISTRY V. 56 4689 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:311;
 Invalid;
 none;
 submit data
59.044 C2 H3 O2 CC(=O...
EDO A:310;
 Invalid;
 none;
 submit data
62.068 C2 H6 O2 C(CO)...
CA A:313;
A:314;
A:316;
 Part of Protein;
Part of Protein;
Invalid;
 none;
none;
none;
 submit data
40.078 Ca [Ca+2...
E64 A:312;
 Invalid;
 none;
 submit data
360.429 C15 H30 N5 O5 CC(C)...
NA A:315;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
GLA FUC GLA C:1;
D:1;
 Valid;
Valid;
 none;
none;
 submit data
n/a n/a
GAL FUC GLA B:1;
 Valid;
 none;
 submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5D63 1.65 Å NON-ENZYME: BINDING MOA-Z-VAD-FMK INHIBITOR COMPLEX, DIRECT/INVERTED DUAL ORIENT MARASMIUS OREADES HYDROLASE PAPAIN-LIKE INHIBITOR PROTEASE FUNGAL
Ref.: AN UNUSUAL MEMBER OF THE PAPAIN SUPERFAMILY: MAPPIN CATALYTIC CLEFT OF THE MARASMIUS OREADES AGGLUTININ WITH A CASPASE INHIBITOR. PLOS ONE V. 11 49407 2016
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 5MU9 - GLA FUC GLA n/a n/a
2 5D61 - GLA FUC GLA n/a n/a
3 5D62 - GLA FUC GLA n/a n/a
4 5D63 - GLA FUC GLA n/a n/a
5 3EF2 - GLA FUC GLA n/a n/a
6 2IHO - NAG GAL GAL n/a n/a
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 5MU9 - GLA FUC GLA n/a n/a
2 5D61 - GLA FUC GLA n/a n/a
3 5D62 - GLA FUC GLA n/a n/a
4 5D63 - GLA FUC GLA n/a n/a
5 3EF2 - GLA FUC GLA n/a n/a
6 2IHO - NAG GAL GAL n/a n/a
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 5MU9 - GLA FUC GLA n/a n/a
2 5D61 - GLA FUC GLA n/a n/a
3 5D62 - GLA FUC GLA n/a n/a
4 5D63 - GLA FUC GLA n/a n/a
5 3EF2 - GLA FUC GLA n/a n/a
6 2IHO - NAG GAL GAL n/a n/a
7 3PHZ - NAG GAL SIA n/a n/a
8 5MUA - GAL C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLA FUC GLA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: GAL FUC GLA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: GLA FUC GLA; Similar ligands found: 8
No: Ligand Similarity coefficient
1 GLA FUC GLA 1.0000
2 GAL FUC GLA 0.9808
3 GAL FUC GAL 0.9661
4 GLA FUC A2G 0.9358
5 GAL FUC A2G 0.9159
6 A2G GAL FUC 0.9018
7 GAL FUC NGA 0.9018
8 GL0 FUC A2G 0.9018
Ligand no: 2; Ligand: GAL FUC GLA; Similar ligands found: 8
No: Ligand Similarity coefficient
1 GAL FUC GLA 1.0000
2 GLA FUC GLA 0.9808
3 GAL FUC GAL 0.9775
4 GAL FUC A2G 0.9379
5 GLA FUC A2G 0.9205
6 GAL FUC NGA 0.9188
7 GL0 FUC A2G 0.9188
8 A2G GAL FUC 0.9188
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5D63; Ligand: GLA FUC GLA; 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: 5d63.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5D63; Ligand: GAL FUC GLA; 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: 5d63.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5D63; Ligand: GLA FUC GLA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5d63.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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