Receptor
PDB id Resolution Class Description Source Keywords
3Q49 1.54 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF THE TPR DOMAIN OF CHIP COMPLEXED WITH H PEPTIDE MUS MUSCULUS E3 UBIQUITIN LIGASE LIGASE-CHAPERONE COMPLEX
Ref.: MOLECULAR MECHANISM OF THE NEGATIVE REGULATION OF S PROTEIN BY CARBOXYL TERMINUS OF HSC70-INTERACTING P (CHIP). J.BIOL.CHEM. V. 286 15883 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLY PRO THR ILE GLU GLU VAL ASP C:635;
 Valid;
 none;
 submit data
726.805 n/a O=C(N...
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: GLY PRO THR ILE GLU GLU VAL ASP; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 GLY PRO THR ILE GLU GLU VAL ASP 1 1
2 ACE TYR PRO ILE GLN GLU THR 0.515625 0.84375
3 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.515385 0.863636
4 ACE PRO ILE GLN GLU GLU 0.509259 0.836066
5 ACE PRO VAL GLN GLU THR NH2 0.5 0.916667
6 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.475524 0.90625
7 ILE PRO LEU THR GLU GLU ALA GLU LEU 0.468254 0.966102
8 ALA ILE GLU THR ASA 0.443396 0.677966
9 SER GLU CYS THR THR PRO CYS 0.439024 0.901639
10 ILE SER GLU VAL 0.431373 0.711864
11 ARG ARG ARG GLU ARG SER PRO THR ARG 0.426471 0.80597
12 GLU PRO VAL GLU THR THR ASP TYR 0.419118 0.859375
13 ACE ILE GLU PRO ASJ 0.415254 0.898305
14 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.413534 0.949153
15 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.408451 0.863636
16 LEU PRO PHE GLU ARG ALA THR ILE MET 0.40625 0.816901
17 GLU ARG THR ILE PRO ILE THR ARG GLU 0.406015 0.833333
18 LEU PRO GLU THR GLY 0.403361 0.982759
19 GLY TYR GLU ASN PRO THR TYR LYS PHE PHE 0.4 0.794118
Similar Ligands (3D)
Ligand no: 1; Ligand: GLY PRO THR ILE GLU GLU VAL ASP; 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 : 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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