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([...
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 22 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 18 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 13 families.
1 1ELW Kd = 16 uM GLY PRO THR ILE GLU GLU VAL ASP n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLY PRO THR ILE GLU GLU VAL ASP; Similar ligands found: 21
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 0.503876 0.84127
3 GLU GLU PRO THR VAL ILE LYS LYS TYR 0.5 0.903226
4 GLY GLU ARG THR ILE PRO ILE THR ARG GLU 0.496124 0.833333
5 GLU ARG THR ILE PRO ILE THR ARG GLU 0.476562 0.833333
6 ALA ILE GLU THR ASA 0.457143 0.684211
7 ARG ARG ARG GLU ARG SER PRO THR ARG 0.450382 0.776119
8 SER GLU CYS THR THR PRO CYS 0.434426 0.883333
9 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.428571 0.833333
10 ILE SER GLU VAL 0.427184 0.689655
11 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.425 0.932203
12 LYS GLN GLU PRO GLN GLU ILE ASP PHE 0.410959 0.85
13 LEU PRO PHE GLU ARG ALA THR ILE MET 0.408805 0.788732
14 PRO GLU PRO THR ALA PRO PRO GLU GLU 0.407407 0.883333
15 LEU PRO GLU THR GLY 0.40678 0.964912
16 GLN ASN GLY PTR GLU ASN PRO THR TYR 0.405594 0.732394
17 LEU PRO GLY GLU GLU ASP LEU PRO GLY 0.403101 0.85
18 TYR LEU GLU PRO GLY PRO VAL THR VAL 0.402778 0.859375
19 LYS LEU TYR GLN ASN PRO THR THR TYR ILE 0.401316 0.820895
20 GLN MET PRO THR GLU ASP GLU TYR 0.4 0.794118
21 GLU LEU PRO LEU VAL LYS ILE 0.4 0.894737
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: 24
This union binding pocket(no: 1) in the query (biounit: 1elw.bio2) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UVC STE 0.01246 0.41572 None
2 4WG0 CHD 0.01796 0.40159 None
3 1QJC PNS 0.02902 0.40447 3.38983
4 4ZOM 4Q3 0.008046 0.4358 4.23729
5 5V4R MGT 0.003247 0.43471 5.9322
6 3G08 FEE 0.04165 0.41059 6.77966
7 3L9R L9R 0.02504 0.40665 6.77966
8 1NF8 BOG 0.01418 0.40533 6.77966
9 1TV5 N8E 0.01186 0.40893 7.62712
10 4IGH FMN 0.03891 0.41846 8.47458
11 4IGH 1EA 0.03891 0.41846 8.47458
12 4IGH ORO 0.03891 0.41846 8.47458
13 3SVJ 4LI 0.009023 0.41347 8.47458
14 3D9F FAD 0.02529 0.42138 9.32203
15 5OCA 9QZ 0.0002172 0.51114 12.7119
16 3ZPG 5GP 0.009266 0.41279 12.7119
17 2WPF WPF 0.0415 0.4302 13.5593
18 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.01742 0.40983 18.6441
19 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.01648 0.4247 21
20 3HUJ AGH 0.04146 0.40785 21.2121
21 5L2J 6UL 0.03447 0.42072 21.4286
22 5L2J 70E 0.0388 0.4191 21.4286
23 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 0.03701 0.40391 22.8814
24 1FCH TYR GLN SER LYS LEU 0.0001203 0.51073 36.4407
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