Receptor
PDB id Resolution Class Description Source Keywords
6NSV 1.31 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF THE HUMAN CHIP TPR DOMAIN IN COMPLEX WI ACETYLATED OPTIMIZED PEPTIDE HOMO SAPIENS CHIP LIGASE
Ref.: SPECIFICITY FOR LATENT C TERMINI LINKS THE E3 UBIQU LIGASE CHIP TO CASPASES. NAT.CHEM.BIOL. V. 15 786 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:201;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
1PE 1PE A:203;
 Invalid;
 none;
 submit data
n/a n/a
ACE LEU TRP TRP PRO ASP C:636;
D:636;
 Valid;
Valid;
 none;
none;
 submit data
n/a n/a
NA A:202;
B:201;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6NSV 1.31 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF THE HUMAN CHIP TPR DOMAIN IN COMPLEX WI ACETYLATED OPTIMIZED PEPTIDE HOMO SAPIENS CHIP LIGASE
Ref.: SPECIFICITY FOR LATENT C TERMINI LINKS THE E3 UBIQU LIGASE CHIP TO CASPASES. NAT.CHEM.BIOL. V. 15 786 2019
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 41 families.
1 3Q49 - GLY PRO THR ILE GLU GLU VAL ASP n/a n/a
2 3Q4A - SER PRO HIS ASN PRO ILE SER SEP VAL SEP n/a n/a
3 3Q47 - SER PRO HIS ASN PRO ILE SER ASP VAL ASP n/a n/a
4 6EFK - ACE ILE GLU GLU VAL ASP n/a n/a
5 6NSV - ACE LEU TRP TRP PRO ASP n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 27 families.
1 3Q49 - GLY PRO THR ILE GLU GLU VAL ASP n/a n/a
2 3Q4A - SER PRO HIS ASN PRO ILE SER SEP VAL SEP n/a n/a
3 3Q47 - SER PRO HIS ASN PRO ILE SER ASP VAL ASP n/a n/a
4 6EFK - ACE ILE GLU GLU VAL ASP n/a n/a
5 6NSV - ACE LEU TRP TRP PRO ASP 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 21 families.
1 3Q49 - GLY PRO THR ILE GLU GLU VAL ASP n/a n/a
2 3Q4A - SER PRO HIS ASN PRO ILE SER SEP VAL SEP n/a n/a
3 3Q47 - SER PRO HIS ASN PRO ILE SER ASP VAL ASP n/a n/a
4 6EFK - ACE ILE GLU GLU VAL ASP n/a n/a
5 6NSV - ACE LEU TRP TRP PRO ASP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACE LEU TRP TRP PRO ASP; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE LEU TRP TRP PRO ASP; Similar ligands found: 1
No: Ligand Similarity coefficient
1 ACE LEU TRP TRP PRO ASP 1.0000
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6NSV; Ligand: ACE LEU TRP TRP PRO ASP; 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: 6nsv.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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