Receptor
PDB id Resolution Class Description Source Keywords
1ELR 1.9 Å NON-ENZYME: FOLDING CRYSTAL STRUCTURE OF THE TPR2A DOMAIN OF HOP IN COMPLEX WITH PEPTIDE MEEVD HOMO SAPIENS HOP TPR-DOMAIN PEPTIDE-COMPLEX HELICAL REPEAT HSP90 PROBINDING CHAPERONE
Ref.: STRUCTURE OF TPR DOMAIN-PEPTIDE COMPLEXES: CRITICAL IN THE ASSEMBLY OF THE HSP70-HSP90 MULTICHAPERONE M CELL(CAMBRIDGE,MASS.) V. 101 199 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACE MET GLU GLU VAL ASP B:0;
Valid;
none;
Kd = 11 uM
659.67 n/a S(CCC...
NI A:200;
Part of Protein;
none;
submit data
58.693 Ni [Ni+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ELR 1.9 Å NON-ENZYME: FOLDING CRYSTAL STRUCTURE OF THE TPR2A DOMAIN OF HOP IN COMPLEX WITH PEPTIDE MEEVD HOMO SAPIENS HOP TPR-DOMAIN PEPTIDE-COMPLEX HELICAL REPEAT HSP90 PROBINDING CHAPERONE
Ref.: STRUCTURE OF TPR DOMAIN-PEPTIDE COMPLEXES: CRITICAL IN THE ASSEMBLY OF THE HSP70-HSP90 MULTICHAPERONE M CELL(CAMBRIDGE,MASS.) V. 101 199 2000
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 1ELR Kd = 11 uM ACE MET GLU GLU VAL ASP n/a n/a
2 3FWV Kd = 2.3 uM ACE MET GLU GLU VAL PHE n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 1ELR Kd = 11 uM ACE MET GLU GLU VAL ASP n/a n/a
2 3FWV Kd = 2.3 uM ACE MET GLU GLU VAL PHE n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1ELR Kd = 11 uM ACE MET GLU GLU VAL ASP n/a n/a
2 3FWV Kd = 2.3 uM ACE MET GLU GLU VAL PHE n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ACE MET GLU GLU VAL ASP; Similar ligands found: 26
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE MET GLU GLU VAL ASP 1 1
2 ASP THR GLU MET GLU GLU VAL ASP 0.763889 0.931818
3 ACE MET GLU GLU VAL PHE 0.675 0.911111
4 GLY SER LYS MET GLU GLU VAL ASP 0.632184 0.773585
5 SER ARG MET GLU GLU VAL ASP 0.625 0.82
6 ACE MET LEU SER VAL GLU GLU GLU GLY 0.579545 0.857143
7 ACE ASP GLU VAL ASP 0QE 0.578947 0.782609
8 ACE ASP GLU VAL ASP ASP GLU VAL ASP 0.573333 0.795455
9 ACE THR GLU ASP VAL VAL CYS CYS 0.534884 0.75
10 ALA GLU ASP ASP VAL GLU 0.532468 0.777778
11 PRO THR VAL GLU GLU VAL ASP 0.516854 0.631579
12 ACE PHE ASP GLU MET GLU GLU CYS 0.505495 0.87234
13 ALA SER ASN GLU ASP MET GLU THR MET 0.5 0.769231
14 ALA SER ASN GLU ASN MET GLU THR MET 0.48913 0.769231
15 ACE ASP GLU VAL ASP 0QE DTT 0.478723 0.666667
16 ALA SER ASN GLU ASN ALA GLU THR MET 0.454545 0.769231
17 ACE ASP GLU 0.449275 0.761905
18 ACE VAL GLU ILE ASA 0.447059 0.813953
19 VAL GLN GLN GLU SER SER PHE VAL MET 0.438095 0.788462
20 ACE GLU VAL ASN PRO 0.434783 0.627119
21 ALA SER ASN GLU ASN ILE GLU THR MET 0.431373 0.754717
22 ALA LYS GLU LYS SER ASP 0.413793 0.653846
23 GLU GLU ILE ASP VAL VAL SER VAL 0.412371 0.74
24 MET GLU ASP TPO GLN ALA ILE ASP 0.410714 0.714286
25 SAC ASP 0.405797 0.666667
26 ACE 1PA GLU GLU ILE 0.4 0.76087
Similar Ligands (3D)
Ligand no: 1; Ligand: ACE MET 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 : 1ELR; Ligand: ACE MET GLU GLU VAL 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: 1elr.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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