Receptor
PDB id Resolution Class Description Source Keywords
1ELW 1.6 Å NON-ENZYME: FOLDING CRYSTAL STRUCTURE OF THE TPR1 DOMAIN OF HOP IN COMPLEX WITH A HSC70 PEPTIDE HOMO SAPIENS HOP TPR-DOMAIN PEPTIDE-COMPLEX HELICAL REPEAT HSC70 HSP70 PROTEIN BINDING CHAPERONE
Ref.: STRUCTURE OF TPR DOMAIN-PEPTIDE COMPLEXES: CRITICAL ELEMENTS IN THE ASSEMBLY OF THE HSP70-HSP90 MULTICHAPERONE MACHINE CELL(CAMBRIDGE,MASS.) V. 101 199 2000
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:5;
D:5;
 Valid;
Valid;
 none;
none;
 Kd = 16 uM
726.805 n/a O=C(N...
NI A:402;
A:403;
B:401;
B:404;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
58.693 Ni [Ni+2...
TRS A:301;
A:302;
B:303;
B:304;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
122.143 C4 H12 N O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ELW 1.6 Å NON-ENZYME: FOLDING CRYSTAL STRUCTURE OF THE TPR1 DOMAIN OF HOP IN COMPLEX WITH A HSC70 PEPTIDE HOMO SAPIENS HOP TPR-DOMAIN PEPTIDE-COMPLEX HELICAL REPEAT HSC70 HSP70 PROTEIN BINDING CHAPERONE
Ref.: STRUCTURE OF TPR DOMAIN-PEPTIDE COMPLEXES: CRITICAL ELEMENTS IN THE ASSEMBLY OF THE HSP70-HSP90 MULTICHAPERONE MACHINE CELL(CAMBRIDGE,MASS.) V. 101 199 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 26 families.
1 1ELW Kd = 16 uM GLY PRO THR ILE GLU GLU VAL ASP n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 1ELW Kd = 16 uM GLY PRO THR ILE GLU GLU VAL ASP n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 1ELW Kd = 16 uM GLY PRO THR ILE GLU GLU VAL 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 : 1ELW; Ligand: GLY PRO THR ILE 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: 1elw.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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