Receptor
PDB id Resolution Class Description Source Keywords
6USC 1.59 Å NON-ENZYME: BINDING STRUCTURE OF HUMAN INTELECTIN-1 IN COMPLEX WITH KO HOMO SAPIENS KO LECTIN MICROBIAL RECOGNITION SUGAR BINDING PROTEIN
Ref.: STEREOELECTRONIC EFFECTS IMPACT GLYCAN RECOGNITION. J.AM.CHEM.SOC. V. 142 2386 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:402;
A:401;
A:403;
B:403;
B:401;
A:402;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
 submit data
40.078 Ca [Ca+2...
CL A:405;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
KO2 A:404;
B:404;
 Valid;
Valid;
 none;
none;
 ic50 = 0.7 mM
294.255 C11 H18 O9 C=CCO...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4WMY 1.6 Å NON-ENZYME: BINDING STRUCTURE OF HUMAN INTELECTIN-1 IN COMPLEX WITH ALLYL-BETA- GALACTOFURANOSE HOMO SAPIENS LECTIN DISULFIDE-LINKED CARBOHYDRATE-BINDING INNATE IMMUNCALCIUM MICROBE-BINDING MICROBE-SPECIFIC GALACTOSE GALACTOFURANOSE DIOL SUGAR BINDING PROTEIN
Ref.: RECOGNITION OF MICROBIAL GLYCANS BY HUMAN INTELECTI NAT.STRUCT.MOL.BIOL. V. 22 603 2015
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 4WMY Kd = 85 nM 3S6 C9 H16 O6 C=CCO[C@H]....
2 6USC ic50 = 0.7 mM KO2 C11 H18 O9 C=CCO[C@@]....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 4WMY Kd = 85 nM 3S6 C9 H16 O6 C=CCO[C@H]....
2 6USC ic50 = 0.7 mM KO2 C11 H18 O9 C=CCO[C@@]....
3 4WN0 ic50 = 0.6 mM G3P C3 H9 O6 P C([C@H](CO....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 4WMY Kd = 85 nM 3S6 C9 H16 O6 C=CCO[C@H]....
2 6USC ic50 = 0.7 mM KO2 C11 H18 O9 C=CCO[C@@]....
3 4WN0 ic50 = 0.6 mM G3P C3 H9 O6 P C([C@H](CO....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: KO2; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 KO2 1 1
2 KDE 0.470588 0.921053
Similar Ligands (3D)
Ligand no: 1; Ligand: KO2; Similar ligands found: 2
No: Ligand Similarity coefficient
1 KDO 0.8680
2 EFZ 0.8606
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4WMY; Ligand: 3S6; 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: 4wmy.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4WMY; Ligand: 3S6; 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: 4wmy.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4WMY; Ligand: 3S6; 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: 4wmy.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4WMY; Ligand: 3S6; 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: 4wmy.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4WMY; Ligand: 3S6; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4wmy.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4WMY; Ligand: 3S6; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4wmy.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback