Receptor
PDB id Resolution Class Description Source Keywords
5MGX 2.18 Å EC: 5.2.1.8 THE STRUCTURE OF FKBP38 IN COMPLEX WITH THE MEEVD TETRATRICO BINDING-MOTIF OF HSP90 SACCHAROMYCES CEREVISIAE HSP90 PPIASE TERATRICOPEPTIDE IMMUNOPHILIN ISOMERASE
Ref.: THE STRUCTURE OF FKBP38 IN COMPLEX WITH THE MEEVD TETRATRICOPEPTIDE BINDING-MOTIF OF HSP90. PLOS ONE V. 12 73543 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP THR GLU MET GLU GLU VAL ASP C:704;
A:702;
D:704;
B:702;
 Valid;
Valid;
Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.242;
Atoms found LESS than expected: % Diff = 0.061;
Atoms found LESS than expected: % Diff = 0.53;
none;
 submit data
730.725 n/a S(CCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5MGX 2.18 Å EC: 5.2.1.8 THE STRUCTURE OF FKBP38 IN COMPLEX WITH THE MEEVD TETRATRICO BINDING-MOTIF OF HSP90 SACCHAROMYCES CEREVISIAE HSP90 PPIASE TERATRICOPEPTIDE IMMUNOPHILIN ISOMERASE
Ref.: THE STRUCTURE OF FKBP38 IN COMPLEX WITH THE MEEVD TETRATRICOPEPTIDE BINDING-MOTIF OF HSP90. PLOS ONE V. 12 73543 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 30 families.
1 5MGX - ASP THR GLU MET 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 20 families.
1 5MGX - ASP THR GLU MET 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 13 families.
1 5MGX - ASP THR GLU MET GLU GLU VAL ASP n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ASP THR GLU MET GLU GLU VAL ASP; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP THR GLU MET GLU GLU VAL ASP 1 1
2 ACE MET GLU GLU VAL ASP 0.763889 0.931818
3 GLY SER LYS MET GLU GLU VAL ASP 0.651685 0.826923
4 SER ARG MET GLU GLU VAL ASP 0.591398 0.803922
5 ACE MET GLU GLU VAL PHE 0.527473 0.851064
6 PRO THR VAL GLU GLU VAL ASP 0.489362 0.649123
7 ALA GLU ASP ASP VAL GLU 0.481928 0.76087
8 ACE ASP GLU VAL ASP 0QE 0.470588 0.729167
9 ALA SER ASN GLU ASP MET GLU THR MET 0.46 0.754717
10 ACE THR GLU ASP VAL VAL CYS CYS 0.457447 0.734694
11 ACE MET LEU SER VAL GLU GLU GLU GLY 0.454545 0.84
12 ALA SER ASN GLU ASN MET GLU THR MET 0.44898 0.754717
13 ACE ASP GLU VAL ASP ASP GLU VAL ASP 0.447059 0.73913
14 VAL GLN GLN GLU SER SER PHE VAL MET 0.431193 0.773585
15 ACE PHE ASP GLU MET GLU GLU CYS 0.42 0.816327
16 LYS CYS VAL VAL MET 0.413043 0.8125
17 ALA LYS GLU LYS SER ASP 0.406593 0.673077
18 GLU GLU ILE ASP VAL VAL SER VAL 0.405941 0.72549
19 ALA SER ASN GLU ASN ALA GLU THR MET 0.40566 0.754717
20 HIS MET THR GLU VAL VAL ARG ARG CYS 0.404762 0.636364
Similar Ligands (3D)
Ligand no: 1; Ligand: ASP THR GLU MET GLU GLU VAL ASP; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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