Receptor
PDB id Resolution Class Description Source Keywords
1CFV 2.1 Å NON-ENZYME: IMMUNE MONOCLONAL ANTIBODY FRAGMENT FV4155 FROM E. COLI MUS MUSCULUS FV FRAGMENT STEROID HORMONE FINE SPECIFICITY IMMUNOGLOBUL
Ref.: ANTIBODY FRAGMENT FV4155 BOUND TO TWO CLOSELY RELAT STEROID HORMONES: THE STRUCTURAL BASIS OF FINE SPEC STRUCTURE V. 5 937 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
E3G H:200;
 Valid;
 none;
 Ka ~ 100000000 M^-1
446.49 C24 H30 O8 C[C@]...
ZN L:200;
L:201;
L:202;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CFV 2.1 Å NON-ENZYME: IMMUNE MONOCLONAL ANTIBODY FRAGMENT FV4155 FROM E. COLI MUS MUSCULUS FV FRAGMENT STEROID HORMONE FINE SPECIFICITY IMMUNOGLOBUL
Ref.: ANTIBODY FRAGMENT FV4155 BOUND TO TWO CLOSELY RELAT STEROID HORMONES: THE STRUCTURAL BASIS OF FINE SPEC STRUCTURE V. 5 937 1997
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 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[....
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 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 3DUS - KDO C8 H14 O8 C1[C@H]([C....
7 3DUR - KDO C8 H14 O8 C1[C@H]([C....
8 3DV4 - KDO C8 H14 O8 C1[C@H]([C....
9 3DUU - KDO C8 H14 O8 C1[C@H]([C....
10 3DV6 - KDO C8 H14 O8 C1[C@H]([C....
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: E3G; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 E3G 1 1
2 STG 0.67 0.913043
3 J3Z 0.527473 0.681818
Similar Ligands (3D)
Ligand no: 1; Ligand: E3G; Similar ligands found: 1
No: Ligand Similarity coefficient
1 CKZ 0.8561
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CFV; Ligand: E3G; 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: 1cfv.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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