Receptor
PDB id Resolution Class Description Source Keywords
1X9Q 1.5 Å NON-ENZYME: IMMUNE 4M5.3 ANTI-FLUORESCEIN SINGLE CHAIN ANTIBODY FRAGMENT (SCFV) HOMO SAPIENS VERY HIGH AFFINITY ANTIBODY BINDING ELECTROSTATICS DIRECTEVOLUTION SINGLE CHAIN ANTIBODY IMMUNE SYSTEM
Ref.: SUBSTANTIAL ENERGETIC IMPROVEMENT WITH MINIMAL STRU PERTURBATION IN A HIGH AFFINITY MUTANT ANTIBODY J.MOL.BIOL. V. 343 685 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:1474;
A:1475;
A:1476;
A:1477;
A:1478;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
FLU A:1341;
Valid;
none;
Kd = 0.27 pM
332.306 C20 H12 O5 c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1X9Q 1.5 Å NON-ENZYME: IMMUNE 4M5.3 ANTI-FLUORESCEIN SINGLE CHAIN ANTIBODY FRAGMENT (SCFV) HOMO SAPIENS VERY HIGH AFFINITY ANTIBODY BINDING ELECTROSTATICS DIRECTEVOLUTION SINGLE CHAIN ANTIBODY IMMUNE SYSTEM
Ref.: SUBSTANTIAL ENERGETIC IMPROVEMENT WITH MINIMAL STRU PERTURBATION IN A HIGH AFFINITY MUTANT ANTIBODY J.MOL.BIOL. V. 343 685 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 208 families.
1 1X9Q Kd = 0.27 pM FLU C20 H12 O5 c1ccc(c(c1....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 62 families.
1 1X9Q Kd = 0.27 pM FLU C20 H12 O5 c1ccc(c(c1....
2 1SVZ - PRO GLN PHE SER LEU TRP LYS ARG n/a n/a
3 1H8S Kd = 1.54 uM AIC C16 H19 N3 O4 S CC1([C@@H]....
4 3WBD - SIA SIA SIA SIA SIA SIA SIA n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 1X9Q Kd = 0.27 pM FLU C20 H12 O5 c1ccc(c(c1....
2 1SVZ - PRO GLN PHE SER LEU TRP LYS ARG n/a n/a
3 1H8S Kd = 1.54 uM AIC C16 H19 N3 O4 S CC1([C@@H]....
4 3WBD - SIA SIA SIA SIA SIA SIA SIA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FLU; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 FLU 1 1
2 A4F 0.693333 0.820513
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1X9Q; Ligand: FLU; 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: 1x9q.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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