Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA B:402;
B:401;
A:403;
B:403;
A: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...
3S6 A:404;
B:404;
Valid;
Valid;
none;
none;
Kd = 85 nM
220.22 C9 H16 O6 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: 3S6; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 3S6 1 1
2 291 0.561404 0.644444
Similar Ligands (3D)
Ligand no: 1; Ligand: 3S6; Similar ligands found: 35
No: Ligand Similarity coefficient
1 GLY MET 0.9275
2 RD4 0.9127
3 JAA 0.9037
4 CR1 0.8982
5 SRO 0.8978
6 IN2 0.8941
7 AOR 0.8932
8 GLY LEU 0.8930
9 CIT 0.8926
10 OKM 0.8912
11 60L 0.8903
12 9GP 0.8838
13 NLQ 0.8828
14 AH8 0.8815
15 KG1 0.8804
16 1N4 0.8798
17 G88 0.8769
18 NLG 0.8764
19 KFN 0.8756
20 GGG 0.8737
21 FLC 0.8711
22 NBB 0.8692
23 5XW 0.8689
24 AED 0.8683
25 ALA GLN 0.8657
26 7QD 0.8656
27 5XR 0.8656
28 KDN 0.8654
29 MMN 0.8653
30 AN0 0.8632
31 AQK 0.8615
32 5V6 0.8612
33 7ZC 0.8599
34 SF6 0.8591
35 IFG 0.8524
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
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