Receptor
PDB id Resolution Class Description Source Keywords
2WW1 2.25 Å EC: 3.-.-.- STRUCTURE OF THE FAMILY GH92 INVERTING MANNOSIDASE BT3990 FR BACTEROIDES THETAIOTAOMICRON VPI-5482 IN COMPLEX WITH T HIOMANNOBIOSIDE BACTEROIDES THETAIOTAOMICRON HYDROLASE GLYCOSIDE HYDROLASE FAMILY 92 GH92 BT3990
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
Z5L MAN H:1;
E:1;
G:1;
F:1;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
n/a n/a
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 312 families.
1 2WW3 - Z5L MAN n/a n/a
2 2WZS Ki = 140 uM MVL C8 H12 N2 O4 c1cn2c(n1)....
3 2WW1 - Z5L MAN n/a n/a
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 261 families.
1 2WW3 - Z5L MAN n/a n/a
2 2WZS Ki = 140 uM MVL C8 H12 N2 O4 c1cn2c(n1)....
3 2WW1 - Z5L MAN n/a n/a
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 214 families.
1 6F90 - MVL C8 H12 N2 O4 c1cn2c(n1)....
2 2WW3 - Z5L MAN n/a n/a
3 2WZS Ki = 140 uM MVL C8 H12 N2 O4 c1cn2c(n1)....
4 2WW1 - Z5L MAN n/a n/a
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 (2D)
Ligand no: 1; Ligand: Z5L MAN; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: Z5L MAN; Similar ligands found: 8
No: Ligand Similarity coefficient
1 Z5L MAN 1.0000
2 MMA MAN 0.9318
3 MAN MAN 0.9176
4 MMA LDY 0.9153
5 GLC GLC 0.8946
6 MA1 GLC 0.8861
7 BGC GLC 0.8687
8 Z4Y MAN 0.8562
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 14 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 15 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 15 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback