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 THE HSP90 PEPTIDE MEEVD HOMO SAPIENS HOP TPR-DOMAIN PEPTIDE-COMPLEX HELICAL REPEAT HSP90 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
ACE MET GLU GLU VAL ASP B:0;
Valid;
none;
Kd = 11 uM
660.678 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 THE HSP90 PEPTIDE MEEVD HOMO SAPIENS HOP TPR-DOMAIN PEPTIDE-COMPLEX HELICAL REPEAT HSP90 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 (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 1ELR Kd = 11 uM ACE MET GLU GLU VAL ASP n/a n/a
2 3FWV Kd = 110 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 18 families.
1 1ELR Kd = 11 uM ACE MET GLU GLU VAL ASP n/a n/a
2 3FWV Kd = 110 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 13 families.
1 1ELR Kd = 11 uM ACE MET GLU GLU VAL ASP n/a n/a
2 3FWV Kd = 110 uM ACE MET GLU GLU VAL PHE n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACE MET GLU GLU VAL ASP; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 ACE MET GLU GLU VAL ASP 1 1
2 ACE MET GLU GLU VAL PHE 0.694118 0.911111
3 ACE MET LEU SER VAL GLU GLU GLU GLY 0.597826 0.857143
4 ASP THR GLU MET GLU GLU VAL ASP 0.590909 0.854167
5 SER ARG MET GLU GLU VAL ASP 0.549451 0.854167
6 ACE THR GLU ASP VAL VAL CYS CYS 0.521739 0.75
7 PRO THR VAL GLU GLU VAL ASP 0.5 0.654545
8 ALA GLU ASP ASP VAL GLU 0.481928 0.795455
9 ACE ASP GLU VAL ASP 0QE 0.47619 0.75
10 ACE PHE ASP GLU MET GLU GLU CYS 0.454545 0.87234
11 ACE 1PA GLU GLU ILE 0.445652 0.76087
12 ACE ASP GLU 0.421053 0.714286
13 ALA SER ASN GLU ASP MET GLU THR MET 0.417476 0.769231
14 ACE VAL GLU ILE ASA 0.408602 0.813953
15 ALA SER ASN GLU ASN MET GLU THR MET 0.405941 0.769231
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: 28
This union binding pocket(no: 1) in the query (biounit: 1elr.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4F4S EFO 0.004956 0.43233 None
2 3B9Z CO2 0.01199 0.42528 None
3 2PEL LBT 0.0186 0.40336 None
4 1JGS SAL 0.04216 0.40077 None
5 4MGA 27L 0.005908 0.43614 2.29008
6 5MFI LYS ARG LYS ARG LYS ARG LYS ARG 0.01791 0.42967 3.05344
7 5D59 78M 0.03154 0.40368 3.05344
8 5V4R MGT 0.001542 0.46265 4.58015
9 5F74 AMP 0.01491 0.40822 4.58015
10 2VWA PTY 0.01965 0.41015 5.94059
11 4V3I ASP LEU THR ARG PRO 0.02235 0.40386 6.10687
12 1CZA ADP 0.01939 0.40103 6.10687
13 5OCA 9QZ 0.0003745 0.50091 6.34921
14 1WTC ACP 0.01049 0.41332 6.87023
15 1TV5 N8E 0.01508 0.41388 7.63359
16 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.01907 0.41192 8.39695
17 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.01405 0.41033 9.92366
18 3HP9 CF1 0.00838 0.43046 12.2137
19 3ZPG 5GP 0.01532 0.42754 12.2137
20 2UW1 GVM 0.0187 0.41001 12.2137
21 4UCC ZKW 0.03686 0.40369 12.2137
22 1VJ7 GPX 0.0168 0.4098 13.7405
23 3BU1 HSM 0.01555 0.41021 14.5038
24 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.03865 0.40021 14.5038
25 4K10 NI9 0.01942 0.40396 16.7939
26 1FCH TYR GLN SER LYS LEU 0.000005976 0.55944 29.0076
27 1NA3 IPT 0.000001001 0.61165 49.4506
28 1NA0 IPT 0.000003651 0.51779 49.6
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