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 DIRECTED EVOLUTION SINGLE CHAIN ANTIBODY IMMUNE SYSTEM
Ref.: SUBSTANTIAL ENERGETIC IMPROVEMENT WITH MINIMAL STRUCTURAL 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 DIRECTED EVOLUTION SINGLE CHAIN ANTIBODY IMMUNE SYSTEM
Ref.: SUBSTANTIAL ENERGETIC IMPROVEMENT WITH MINIMAL STRUCTURAL 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 199 families.
1 1X9Q Kd = 0.27 pM FLU C20 H12 O5 c1ccc(c(c1....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 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 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 43 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: 17
This union binding pocket(no: 1) in the query (biounit: 1x9q.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3R96 AMP 0.04783 0.40219 None
2 3R96 ACO 0.04783 0.40219 None
3 4LED XXR 0.02322 0.40723 2.61194
4 3BXF 13P 0.01759 0.40219 2.7451
5 4WCX ALA 0.001048 0.45192 3.35821
6 3G5D 1N1 0.03705 0.42037 3.35821
7 1RYI FAD 0.03239 0.44268 3.73134
8 5JNN 6LM 0.02724 0.40093 5.26316
9 4IGQ THR M3L GLN 0.01165 0.41294 5.59701
10 3OV6 MK0 0.01475 0.42273 6.34328
11 1KJ1 MAN 0.02185 0.40794 6.34328
12 3FQ8 PMP 0.02002 0.40776 6.34328
13 3IES M24 0.03009 0.41098 12.3134
14 2GU8 796 0.01787 0.43791 20
15 5ALC TIQ 0.02142 0.41179 31.9444
16 4H0I MMA 0.0001521 0.50902 43.8247
17 4OCX MT1 0.0008184 0.45769 48.1481
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