Receptor
PDB id Resolution Class Description Source Keywords
2WW2 1.9 Å EC: 3.-.-.- STRUCTURE OF THE FAMILY GH92 INVERTING MANNOSIDASE BT2199 FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 BACTEROIDES THETAIOTAOMICRON HYDROLASE GLYCOSIDE HYDROLASE FAMILY 92 BT2199
Ref.: MECHANISTIC INSIGHTS INTO A CA2+-DEPENDENT FAMILY O 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
GOL A:801;
A:802;
A:803;
A:804;
A:805;
A:806;
A:807;
B:801;
B:802;
B:803;
B:804;
C:801;
C:802;
C:803;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MPD A:759;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@@...
NA A:799;
A:800;
B:800;
C:800;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
SWA B:900;
Valid;
none;
Ki = 14 uM
173.21 C8 H15 N O3 C1C[C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WW2 1.9 Å EC: 3.-.-.- STRUCTURE OF THE FAMILY GH92 INVERTING MANNOSIDASE BT2199 FROM BACTEROIDES THETAIOTAOMICRON VPI-5482 BACTEROIDES THETAIOTAOMICRON HYDROLASE GLYCOSIDE HYDROLASE FAMILY 92 BT2199
Ref.: MECHANISTIC INSIGHTS INTO A CA2+-DEPENDENT FAMILY O A-MANNOSIDASES IN A HUMAN GUT SYMBIONT. NAT.CHEM.BIOL. V. 6 125 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 283 families.
1 2WW2 Ki = 14 uM SWA C8 H15 N O3 C1C[C@H]([....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 235 families.
1 2WW2 Ki = 14 uM SWA C8 H15 N O3 C1C[C@H]([....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 193 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: SWA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 SWA 1 1
2 CTS 0.487179 0.977778
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WW2; Ligand: SWA; 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: 2ww2.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback