Receptor
PDB id Resolution Class Description Source Keywords
1H8S 2.4 Å NON-ENZYME: IMMUNE THREE-DIMENSIONAL STRUCTURE OF ANTI-AMPICILLIN SINGLE CHAIN FRAGMENT COMPLEXED WITH THE HAPTEN. MUS MUSCULUS ANTI-AMPICILLIN ANTIBODIES
Ref.: SELECTION, CHARACTERIZATION AND X-RAY STRUCTURE OF ANTI-AMPICILLIN SINGLE-CHAIN FV FRAGMENTS FROM PHAGE-DISPLAYED MURINE ANTIBODY LIBRARIES J.MOL.BIOL. V. 309 671 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AIC A:1000;
 Valid;
 none;
 Kd = 1.54 uM
349.405 C16 H19 N3 O4 S CC1([...
SO4 A:1001;
A:1002;
 Invalid;
Invalid;
 none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1H8S 2.4 Å NON-ENZYME: IMMUNE THREE-DIMENSIONAL STRUCTURE OF ANTI-AMPICILLIN SINGLE CHAIN FRAGMENT COMPLEXED WITH THE HAPTEN. MUS MUSCULUS ANTI-AMPICILLIN ANTIBODIES
Ref.: SELECTION, CHARACTERIZATION AND X-RAY STRUCTURE OF ANTI-AMPICILLIN SINGLE-CHAIN FV FRAGMENTS FROM PHAGE-DISPLAYED MURINE ANTIBODY LIBRARIES J.MOL.BIOL. V. 309 671 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 1H8S Kd = 1.54 uM AIC C16 H19 N3 O4 S CC1([C@@H]....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 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 6K4Z - NPA C8 H7 N O5 c1cc(c(cc1....
5 3WBD - SIA SIA SIA SIA SIA SIA SIA n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 45 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 6K4Z - NPA C8 H7 N O5 c1cc(c(cc1....
5 3WBD - SIA SIA SIA SIA SIA SIA SIA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AIC; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 PN1 1 1
2 AIC 1 1
3 PNN 0.565789 0.898305
4 IP1 0.5 0.84127
5 ZZ7 0.439024 0.803571
6 AIX 0.428571 0.818182
Similar Ligands (3D)
Ligand no: 1; Ligand: AIC; Similar ligands found: 5
No: Ligand Similarity coefficient
1 SOX 0.9497
2 0JM 0.9415
3 PNK 0.8892
4 3S3 0.8665
5 3BE 0.8556
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1H8S; Ligand: AIC; 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: 1h8s.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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