Receptor
PDB id Resolution Class Description Source Keywords
1D5X 2.45 Å NON-ENZYME: IMMUNE X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH DIPEPTIDE AND SEB HOMO SAPIENS MHC CLASS II-SUPERANTIGEN COMPLEX IMMUNE SYSTEM-PEPTIDE INHCOMPLEX PEPTIDEOMIMETIC INHIBITOR
Ref.: PEPTIDE AND PEPTIDE MIMETIC INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR CLASS II MHC MOLECULES. DESI STRUCTURE-ACTIVITY RELATIONSHIPS, AND X-RAY CRYSTAL STRUCTURES. J.MED.CHEM. V. 43 2135 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACE ALC ARG MAA HAQ SEL D:803;
Valid;
none;
submit data
756.926 n/a O=C(N...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1D5Z 2 Å NON-ENZYME: IMMUNE X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDOMIM SEB HOMO SAPIENS MHC CLASS II-SUPERANTIGEN COMPLEX IMMUNE SYSTEM-PEPTIDE INHCOMPLEX PEPTIDOMIMETIC INHIBITOR
Ref.: PEPTIDE AND PEPTIDE MIMETIC INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR CLASS II MHC MOLECULES. DESI STRUCTURE-ACTIVITY RELATIONSHIPS, AND X-RAY CRYSTAL STRUCTURES. J.MED.CHEM. V. 43 2135 2000
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 1D6E - ACE ALC ARG MPQ MET ALA SER TBG NH2 n/a n/a
2 1D5Z - ACE ALC ARG ALA ODA SER LEU NH2 n/a n/a
3 1D5M - ACE ALC ARG ALA MET CY1 SER LEU NH2 n/a n/a
4 1D5X - ACE ALC ARG MAA HAQ SEL n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 67 families.
1 1D6E - ACE ALC ARG MPQ MET ALA SER TBG NH2 n/a n/a
2 1D5Z - ACE ALC ARG ALA ODA SER LEU NH2 n/a n/a
3 1D5M - ACE ALC ARG ALA MET CY1 SER LEU NH2 n/a n/a
4 1D5X - ACE ALC ARG MAA HAQ SEL 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 45 families.
1 1D6E - ACE ALC ARG MPQ MET ALA SER TBG NH2 n/a n/a
2 1D5Z - ACE ALC ARG ALA ODA SER LEU NH2 n/a n/a
3 1D5M - ACE ALC ARG ALA MET CY1 SER LEU NH2 n/a n/a
4 1D5X - ACE ALC ARG MAA HAQ SEL n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACE ALC ARG MAA HAQ SEL; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE ALC ARG MAA HAQ SEL 1 1
2 ACE ALC ARG MPQ MET ALA SER TBG NH2 0.424242 0.721519
3 ACE ALC ARG ALA ODA SER LEU NH2 0.416667 0.7875
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE ALC ARG MAA HAQ SEL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1D5Z; Ligand: ACE ALC ARG ALA ODA SER LEU NH2; 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: 1d5z.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
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