Receptor
PDB id Resolution Class Description Source Keywords
2WVZ 2.4 Å EC: 3.-.-.- STRUCTURE OF THE FAMILY GH92 INVERTING MANNOSIDASE BT3990 FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 BACTEROIDES THETAIOTAOMICRON HYDROLASE GH92 BT3990 GLYCOSIDE HYDROLASE FAMILY 92
Ref.: MECHANISTIC INSIGHTS INTO A CA2+-DEPENDENT FAMILY OF A-MANNOSIDASES IN A HUMAN GUT SYMBIONT. NAT.CHEM.BIOL. V. 6 125 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:800;
B:800;
C:800;
D:800;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
GOL A:802;
B:802;
B:803;
C:802;
D:802;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
KIF A:801;
B:801;
C:801;
D:801;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Ki = 96 uM
232.191 C8 H12 N2 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WVZ 2.4 Å EC: 3.-.-.- STRUCTURE OF THE FAMILY GH92 INVERTING MANNOSIDASE BT3990 FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 BACTEROIDES THETAIOTAOMICRON HYDROLASE GH92 BT3990 GLYCOSIDE HYDROLASE FAMILY 92
Ref.: MECHANISTIC INSIGHTS INTO A CA2+-DEPENDENT FAMILY OF A-MANNOSIDASES IN A HUMAN GUT SYMBIONT. NAT.CHEM.BIOL. V. 6 125 2010
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 2WW3 - SMD C13 H24 O10 S CO[C@@H]1[....
2 2WZS Ki = 140 uM MVL C8 H12 N2 O4 c1cn2c(n1)....
3 2WW1 - SMD C13 H24 O10 S CO[C@@H]1[....
4 2WVZ Ki = 96 uM KIF C8 H12 N2 O6 C([C@@H]1[....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 2WW3 - SMD C13 H24 O10 S CO[C@@H]1[....
2 2WZS Ki = 140 uM MVL C8 H12 N2 O4 c1cn2c(n1)....
3 2WW1 - SMD C13 H24 O10 S CO[C@@H]1[....
4 2WVZ Ki = 96 uM KIF C8 H12 N2 O6 C([C@@H]1[....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 6F90 - MVL C8 H12 N2 O4 c1cn2c(n1)....
2 2WW3 - SMD C13 H24 O10 S CO[C@@H]1[....
3 2WZS Ki = 140 uM MVL C8 H12 N2 O4 c1cn2c(n1)....
4 2WW1 - SMD C13 H24 O10 S CO[C@@H]1[....
5 2WVZ Ki = 96 uM KIF C8 H12 N2 O6 C([C@@H]1[....
6 6F92 - MVL C8 H12 N2 O4 c1cn2c(n1)....
7 2WW2 Ki = 14 uM SWA C8 H15 N O3 C1C[C@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KIF; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 KIF 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WVZ; Ligand: KIF; 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: 2wvz.bio4) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2WVZ; Ligand: KIF; 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: 2wvz.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2WVZ; Ligand: KIF; 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: 2wvz.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2WVZ; Ligand: KIF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2wvz.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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