Receptor
PDB id Resolution Class Description Source Keywords
6F5W 1.91 Å NON-ENZYME: BINDING PHOTORHABDUS ASYMBIOTICA LECTIN (PHL) IN COMPLEX WITH PROPAR FUCOSIDE PHOTORHABDUS ASYMBIOTICA LECTIN SEVEN-BLADED BETA-PROPELLER SUGAR BINDING PROTEIN
Ref.: SYNTHESIS OF ALPHA-L-FUCOPYRANOSIDE-PRESENTING GLYC AND INVESTIGATION OF THEIR INTERACTION WITH PHOTORH ASYMBIOTICA LECTIN (PHL). CHEMISTRY V. 24 4055 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:403;
B:402;
B:404;
A:404;
B:403;
B:405;
A:402;
A:401;
B:401;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
CL B:409;
A:408;
B:406;
A:409;
B:410;
A:405;
A:407;
B:407;
A:419;
B:408;
A:406;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
35.453 Cl [Cl-]
KG1 A:415;
B:417;
A:417;
B:415;
A:418;
B:414;
A:416;
B:416;
B:413;
A:413;
A:414;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
Kd = 149 uM
202.204 C9 H14 O5 C[C@H...
DMS B:412;
A:411;
A:410;
B:411;
A:412;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6F5W 1.91 Å NON-ENZYME: BINDING PHOTORHABDUS ASYMBIOTICA LECTIN (PHL) IN COMPLEX WITH PROPAR FUCOSIDE PHOTORHABDUS ASYMBIOTICA LECTIN SEVEN-BLADED BETA-PROPELLER SUGAR BINDING PROTEIN
Ref.: SYNTHESIS OF ALPHA-L-FUCOPYRANOSIDE-PRESENTING GLYC AND INVESTIGATION OF THEIR INTERACTION WITH PHOTORH ASYMBIOTICA LECTIN (PHL). CHEMISTRY V. 24 4055 2018
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 5MXG Kd = 4.44 mM FUC GAL NAG n/a n/a
2 6F5W Kd = 149 uM KG1 C9 H14 O5 C[C@H]1[C@....
3 5MXH ic50 = 377.96 mM GAL C6 H12 O6 C([C@@H]1[....
4 5MXF Kd = 0.26 mM MFU C7 H14 O5 C[C@H]1[C@....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 5MXG Kd = 4.44 mM FUC GAL NAG n/a n/a
2 6F5W Kd = 149 uM KG1 C9 H14 O5 C[C@H]1[C@....
3 5MXH ic50 = 377.96 mM GAL C6 H12 O6 C([C@@H]1[....
4 5MXF Kd = 0.26 mM MFU C7 H14 O5 C[C@H]1[C@....
5 5C9P - FUC C6 H12 O5 C[C@H]1[C@....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 5MXG Kd = 4.44 mM FUC GAL NAG n/a n/a
2 6F5W Kd = 149 uM KG1 C9 H14 O5 C[C@H]1[C@....
3 5MXH ic50 = 377.96 mM GAL C6 H12 O6 C([C@@H]1[....
4 5MXF Kd = 0.26 mM MFU C7 H14 O5 C[C@H]1[C@....
5 5C9P - FUC C6 H12 O5 C[C@H]1[C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: KG1; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 KG1 1 1
2 MFU 0.452381 0.851852
3 MFB 0.452381 0.851852
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6F5W; Ligand: KG1; 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: 6f5w.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6F5W; Ligand: KG1; 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: 6f5w.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6F5W; Ligand: KG1; 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: 6f5w.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6F5W; Ligand: KG1; 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: 6f5w.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 6F5W; Ligand: KG1; 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: 6f5w.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 6F5W; Ligand: KG1; 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: 6f5w.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 6F5W; Ligand: KG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 6f5w.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 6F5W; Ligand: KG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 6f5w.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 6F5W; Ligand: KG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 6f5w.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 6F5W; Ligand: KG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 6f5w.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 6F5W; Ligand: KG1; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 6f5w.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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