Receptor
PDB id Resolution Class Description Source Keywords
3Q47 1.71 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF TPR DOMAIN OF CHIP COMPLEXED WITH PSEUDOPHOSPHORYLATED SMAD1 PEPTIDE MUS MUSCULUS E3 UBIQUITIN LIGASE LIGASE-TRANSCRIPTION COMPLEX
Ref.: MOLECULAR MECHANISM OF THE NEGATIVE REGULATION OF S PROTEIN BY CARBOXYL TERMINUS OF HSC70-INTERACTING P (CHIP). J.BIOL.CHEM. V. 286 15883 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SER PRO HIS ASN PRO ILE SER ASP VAL ASP C:459;
Valid;
none;
submit data
756.767 n/a O=C([...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6NSV 1.31 Å EC: 6.3.2.- CRYSTAL STRUCTURE OF THE HUMAN CHIP TPR DOMAIN IN COMPLEX WI ACETYLATED OPTIMIZED PEPTIDE HOMO SAPIENS CHIP LIGASE
Ref.: SPECIFICITY FOR LATENT C TERMINI LINKS THE E3 UBIQU LIGASE CHIP TO CASPASES. NAT.CHEM.BIOL. V. 15 786 2019
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 36 families.
1 3Q49 - GLY PRO THR ILE GLU GLU VAL ASP n/a n/a
2 3Q4A - SER PRO HIS ASN PRO ILE SER SEP VAL SEP n/a n/a
3 3Q47 - SER PRO HIS ASN PRO ILE SER ASP VAL ASP n/a n/a
4 6EFK - ACE ILE GLU GLU VAL ASP n/a n/a
5 6NSV - ACE LEU TRP TRP PRO ASP n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 24 families.
1 3Q49 - GLY PRO THR ILE GLU GLU VAL ASP n/a n/a
2 3Q4A - SER PRO HIS ASN PRO ILE SER SEP VAL SEP n/a n/a
3 3Q47 - SER PRO HIS ASN PRO ILE SER ASP VAL ASP n/a n/a
4 6EFK - ACE ILE GLU GLU VAL ASP n/a n/a
5 6NSV - ACE LEU TRP TRP PRO ASP n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 3Q49 - GLY PRO THR ILE GLU GLU VAL ASP n/a n/a
2 3Q4A - SER PRO HIS ASN PRO ILE SER SEP VAL SEP n/a n/a
3 3Q47 - SER PRO HIS ASN PRO ILE SER ASP VAL ASP n/a n/a
4 6EFK - ACE ILE GLU GLU VAL ASP n/a n/a
5 6NSV - ACE LEU TRP TRP PRO ASP n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SER PRO HIS ASN PRO ILE SER ASP VAL ASP; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 SER PRO HIS ASN PRO ILE SER ASP VAL ASP 1 1
2 SER PRO ILE VAL PRO SER PHE ASP MET 0.507353 0.882353
3 GLU PTR LEU GLY LEU ASP VAL PRO VAL 0.5 0.852459
4 ASN ARG PRO ILE LEU SER LEU 0.492063 0.895522
5 GLU SER ASP PRO ILE VAL ALA GLN TYR 0.482269 0.909091
6 GLN ASN TYR PRO ILE VAL GLN 0.476923 0.863636
7 ALA VAL PRO ILE ALA GLN 0.473684 0.852459
8 LEU ASN PHE PRO ILE SER PRO 0.472 0.953125
9 LYS PRO ILE VAL GLN TYR ASP ASN PHE 0.469388 0.855072
10 SER VAL PRO ILE 0.466019 0.934426
11 SER ASP ILE LEU PHE PRO ALA ASP SER 0.451128 0.936508
12 ALA ASN SER ARG ALA PRO THR SER ILE ILE 0.449275 0.855072
13 ACE ILE GLU PRO ASJ 0.447368 0.885246
14 CYS THR PRO SER ARG 0.446281 0.782609
15 VAL SER GLN ASN TYR PRO ILE VAL GLN ASN 0.445255 0.909091
16 SER PRO LEU ASP SER LEU TRP TRP ILE 0.443662 0.882353
17 ALA ASN SER ARG VAL PRO THR SER ILE ILE 0.443609 0.852941
18 ILE PRO ILE 0.443299 0.786885
19 GLU GLU ILE ASP VAL VAL SER VAL 0.442478 0.737705
20 TYR PRO ASN VAL ASN ILE HIS ASN PHE 0.442177 0.816901
21 ALA VAL PRO ILE 0.441176 0.819672
22 PHE PRO THR LYS ASP VAL ALA LEU 0.43662 0.876923
23 ALA PRO SER PTR VAL ASN VAL GLN ASN 0.435714 0.797297
24 THR PRO TYR ASP ILE ASN GLN MET LEU 0.435374 0.842857
25 LEU PRO PHE ASP LYS SER THR ILE MET 0.434211 0.855072
26 ASN LEU VAL PRO SER VAL ALA THR VAL 0.434109 0.951613
27 ALA ASN SER ARG LEU PRO THR SER ILE ILE 0.431818 0.852941
28 GLU LEU PRO LEU VAL LYS ILE 0.430769 0.854839
29 ILE THR ASP GLN VAL PRO PHE SER VAL 0.430556 0.921875
30 PHE LEU PRO SER ASP PHE PHE PRO SER VAL 0.42963 0.893939
31 THR PRO GLN ASP LEU ASN THR MET LEU 0.42963 0.878788
32 ALA ASN SER ARG TYR PRO THR SER ILE ILE 0.428571 0.833333
33 ACE GLU VAL ASN ALA PRO VAL LPD 0.42623 0.873016
34 ALA ASN SER ARG ALY PRO THR SER ILE ILE 0.425676 0.830986
35 ACE PRO ILE GLN GLU GLU 0.424779 0.796875
36 SER GLU CYS THR THR PRO CYS 0.422764 0.888889
37 LYS PRO HIS SER ASP 0.421875 0.861538
38 ALA ASN SER ARG PHE PRO THR SER ILE ILE 0.42 0.842857
39 VAL PRO LEU THR GLU ASP ALA GLU LEU 0.419847 0.903226
40 ILE MET ASP GLN VAL PRO PHE SER VAL 0.418919 0.880597
41 TYR PRO TYR ASP VAL PRO ASP TYR ALA 0.416667 0.782609
42 ASN LEU VAL PRO THR VAL ALA THR VAL 0.414062 0.919355
43 PHE ASN PHE PRO GLN ILE THR 0.411765 0.863636
44 SER PRO HIS ASN PRO ILE SER SEP VAL SEP 0.411765 0.779412
45 ACE GLU VAL ASN PRO PRO VAL PRO NH2 0.410853 0.873016
46 GLY VAL VAL ALA SER GLN PRO ALA ARG VAL 0.410853 0.918033
47 ASN LEU VAL PRO VAL VAL ALA THR VAL 0.410853 0.919355
48 ARG PRO ARG PRO ASP ASP LEU GLU ILE 0.410072 0.823529
49 SER LEU SER ARG THR PRO ALA ASP GLY ARG 0.409722 0.811594
50 SER HIS PRO ARG PRO ILE ARG VAL 0.409722 0.857143
51 LEU PRO PRO LEU ASP ILE THR PRO TYR 0.409722 0.850746
52 ACE ILE GLU GLU VAL ASP 0.409524 0.606557
53 PRO GLN PRO VAL ASP SER TRP VAL 0.409396 0.865672
54 ASP ILE ASN TYR TYR THR SER GLU PRO 0.408451 0.882353
55 GLU LYS PRO SER SER SER 0.40678 0.870968
56 LEU PRO PHE ASP LYS THR THR ILE MET 0.406667 0.84058
57 ACE GLU VAL ASN PRO PRO VAL LPD 0.40625 0.873016
58 SER ALA PRO ASP THR ARG PRO ALA 0.404412 0.814286
59 LEU PRO PHE ASP ARG THR THR ILE MET 0.402597 0.773333
60 ARG ARG LEU PRO ILE PHE SER ARG LEU 0.401361 0.828571
61 PHE TYR ALA PRO GLU PRO ILE THR SER LEU 0.401316 0.857143
62 ASP TYR ILE ASN THR ASN VAL LEU PRO 0.4 0.893939
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6NSV; Ligand: ACE LEU TRP TRP PRO 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: 6nsv.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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