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Receptor
PDB id Resolution Class Description Source Keywords
4AFK 1.9 Å NON-ENZYME: OTHER IN MESO STRUCTURE OF ALGINATE TRANSPORTER, ALGE, FROM PSEUDOMONAS AERUGINOSA, PAO1 PSEUDOMONAS AERUGINOSA MEMBRANE PROTEIN OUTER MEMBRANE LIPIDIC CUBIC PHASE BETA
Ref.: A CONFORMATIONAL LANDSCAPE FOR ALGINATE SECRETION A THE OUTER MEMBRANE OF PSEUDOMONAS AERUGINOSA. ACTA CRYSTALLOGR.,SECT.D V. 70 2054 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LDA A:1498;
A:1501;
A:1500;
A:1499;
A:1503;
A:1496;
A:1492;
A:1494;
A:1495;
A:1497;
A:1505;
A:1493;
A:1502;
A:1504;
A:1506;
Invalid;
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;
none;
submit data
229.402 C14 H31 N O CCCCC...
PE5 A:1517;
A:1516;
Invalid;
Invalid;
none;
none;
submit data
398.489 C18 H38 O9 CCOCC...
CA A:1509;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
NA A:1507;
A:1508;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
78N A:1514;
A:1513;
A:1511;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
314.46 C18 H34 O4 CCCCC...
78M A:1510;
A:1512;
A:1515;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
314.46 C18 H34 O4 CCCCC...
FLC A:1491;
Valid;
none;
submit data
189.1 C6 H5 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4AFK 1.9 Å NON-ENZYME: OTHER IN MESO STRUCTURE OF ALGINATE TRANSPORTER, ALGE, FROM PSEUDOMONAS AERUGINOSA, PAO1 PSEUDOMONAS AERUGINOSA MEMBRANE PROTEIN OUTER MEMBRANE LIPIDIC CUBIC PHASE BETA
Ref.: A CONFORMATIONAL LANDSCAPE FOR ALGINATE SECRETION A THE OUTER MEMBRANE OF PSEUDOMONAS AERUGINOSA. ACTA CRYSTALLOGR.,SECT.D V. 70 2054 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4AFK - FLC C6 H5 O7 C(C(=O)[O-....
2 5D5D - 78M C18 H34 O4 CCCCCCC/C=....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4AFK - FLC C6 H5 O7 C(C(=O)[O-....
2 5D5D - 78M C18 H34 O4 CCCCCCC/C=....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4AFK - FLC C6 H5 O7 C(C(=O)[O-....
2 5D5D - 78M C18 H34 O4 CCCCCCC/C=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FLC; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 FLC 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4AFK; Ligand: FLC; 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: 4afk.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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