Receptor
PDB id Resolution Class Description Source Keywords
2BHI 2.31 Å NON-ENZYME: TOXIN_VIRAL CRYSTAL STRUCTURE OF TAIWAN COBRA CARDIOTOXIN A3 COMPLEXED WITH SULFOGALACTOCERAMIDE NAJA ATRA CARDIOTOXIN COBRA CARDIOTOXIN SULFOGALACTOCERAMIDE SULFATIDE GLYCOSPHINGOLIPID MEMBRANE PORE FORMATION CYTOLYSIS
Ref.: GLYCOSPHINGOLIPID-FACILITATED MEMBRANE INSERTION AND INTERNALIZATION OF COBRA CARDIOTOXIN: THE SULFATIDE/CARDIOTOXIN COMPLEX STRUCTURE IN A MEMBRANE-LIKE ENVIRONMENT SUGGESTS A LIPID-DEPENDENT CELL-PENETRATING MECHANISM FOR MEMBRANE BINDING POLYPEPTI
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
C10 A:1062;
A:1063;
A:1064;
A:1065;
A:1066;
A:1067;
B:1061;
B:1062;
B:1063;
B:1064;
B:1065;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
422.596 C22 H46 O7 CCCCC...
SFT A:1061;
Valid;
none;
submit data
908.317 C48 H93 N O12 S CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1XT3 2.4 Å NON-ENZYME: TOXIN_VIRAL STRUCTURE BASIS OF VENOM CITRATE-DEPENDENT HEPARIN SULFATE-M CELL SURFACE RETENTION OF COBRA CARDIOTOXIN A3 NAJA ATRA CTX-3 HEPARIN CITRATE TOXIN
Ref.: STRUCTURAL BASIS OF CITRATE-DEPENDENT AND HEPARAN SULFATE-MEDIATED CELL SURFACE RETENTION OF COBRA CA A3 J.BIOL.CHEM. V. 280 9567 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 2BHI - SFT C48 H93 N O12 S CCCCCCCCCC....
2 1XT3 Kd = 2.01 uM SGN IDS SGN IDS SGN IDS n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 2BHI - SFT C48 H93 N O12 S CCCCCCCCCC....
2 1XT3 Kd = 2.01 uM SGN IDS SGN IDS SGN IDS n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 37 families.
1 2BHI - SFT C48 H93 N O12 S CCCCCCCCCC....
2 1XT3 Kd = 2.01 uM SGN IDS SGN IDS SGN IDS n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SFT; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 SFT 1 1
2 SLF 0.755319 1
3 EIS 0.755319 1
4 CIS 0.731959 1
5 0SG 0.625 0.986111
6 03F 0.548077 0.75
7 IGC 0.495798 0.753425
8 LGN 0.495798 0.753425
9 BGC 18C GAL 0.491228 0.753425
10 JLS 0.447368 0.726027
11 DB6 0.421488 0.726027
12 GM3 0.412844 0.722222
13 PBS 0.405405 0.712329
14 F61 0.405405 0.712329
15 0SH 0.405405 0.712329
16 AGH 0.405405 0.712329
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1XT3; Ligand: CIT; 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: 1xt3.bio1) has 3 residues
No: Leader PDB Ligand Sequence Similarity
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