Receptor
PDB id Resolution Class Description Source Keywords
2e27 1.7 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF FV FRAGMENT OF ANTI-CIGUATOXIN ANTIBODY WITH ABC-RING OF CIGUATOXIN MUS MUSCULUS IMMUNOGLOBULIN FOLD IMMUNE SYSTEM
Ref.: CRITICAL CONTRIBUTION OF AROMATIC RINGS TO SPECIFIC RECOGNITION OF POLYETHER RINGS. THE CASE OF CIGUATO CTX3C-ABC AND ITS SPECIFIC ANTIBODY 1C49. J.BIOL.CHEM. V. 283 12259 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AB0 H:6001;
 Valid;
 none;
 Ka = 2220000000 M^-1
344.357 C16 H24 O8 COCO[...
DMS H:7001;
L:7002;
 Invalid;
Invalid;
 none;
none;
 submit data
78.133 C2 H6 O S CS(=O...
GOL H:5002;
H:5003;
H:5005;
L:5001;
L:5004;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2E27 1.7 Å NON-ENZYME: IMMUNE CRYSTAL STRUCTURE OF FV FRAGMENT OF ANTI-CIGUATOXIN ANTIBODY WITH ABC-RING OF CIGUATOXIN MUS MUSCULUS IMMUNOGLOBULIN FOLD IMMUNE SYSTEM
Ref.: CRITICAL CONTRIBUTION OF AROMATIC RINGS TO SPECIFIC RECOGNITION OF POLYETHER RINGS. THE CASE OF CIGUATO CTX3C-ABC AND ITS SPECIFIC ANTIBODY 1C49. J.BIOL.CHEM. V. 283 12259 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 2E27 Ka = 2220000000 M^-1 AB0 C16 H24 O8 COCO[C@H]1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 2E27 Ka = 2220000000 M^-1 AB0 C16 H24 O8 COCO[C@H]1....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 families.
1 2BFV - STG C24 H32 O9 C[C@]12CC[....
2 1BFV Ka ~ 10000000 M^-1 STG C24 H32 O9 C[C@]12CC[....
3 1CFV Ka ~ 100000000 M^-1 E3G C24 H30 O8 C[C@]12CC[....
4 2CJU - PHX C14 H14 N2 O4 c1ccc(cc1)....
5 1WZ1 - DNS C18 H25 N3 O4 S CN(C)c1ccc....
6 43CA Kd < 1 uM NPO C6 H5 N O3 c1cc(ccc1[....
7 3T0W - DIW C26 H29 N2 O3 S CC1(c2cccc....
8 3DUS - KDO C8 H14 O8 C1[C@H]([C....
9 3DUR - KDO C8 H14 O8 C1[C@H]([C....
10 3DV4 - KDO C8 H14 O8 C1[C@H]([C....
11 3DUU - KDO C8 H14 O8 C1[C@H]([C....
12 3DV6 - KDO C8 H14 O8 C1[C@H]([C....
13 5XCU - TYR PRO TYR ASP VAL PRO ASP TYR ALA n/a n/a
14 5XCS - TYR PRO TYR ASP VAL PRO ASP TYR ALA n/a n/a
15 2E27 Ka = 2220000000 M^-1 AB0 C16 H24 O8 COCO[C@H]1....
16 1OAR Kd = 40 nM AZN C14 H8 O7 S c1ccc2c(c1....
17 3T0X - DIW C26 H29 N2 O3 S CC1(c2cccc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AB0; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 AB0 1 1
2 END 0.422222 0.704545
Similar Ligands (3D)
Ligand no: 1; Ligand: AB0; Similar ligands found: 3
No: Ligand Similarity coefficient
1 AKV 0.8752
2 Y3 0.8659
3 3Q0 0.8628
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2E27; Ligand: AB0; 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: 2e27.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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