Receptor
PDB id Resolution Class Description Source Keywords
4S2T 2.15 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF X-PROLYL AMINOPEPTIDASE FROM CAENORHABD ELEGANS: A CYTOSOLIC ENZYME WITH A DI-NUCLEAR ACTIVE SITE CAENORHABDITIS ELEGANS PITTA-BREAD FOLD METALLOPROTEASE ZINC BINDING HYDROLASE-HINHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF X-PROLYL AMINOPEPTIDASE FROM CAENORHABDITIS ELEGANS: A CYTOSOLIC ENZYME WITH A D ACTIVE SITE. FEBS OPEN BIO V. 5 292 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN P:702;
Q:702;
P:701;
Q:701;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
 submit data
65.409 Zn [Zn+2...
01B PRO PRO ALA NH2 B:1;
A:1;
 Valid;
Valid;
 Atoms found LESS than expected: % Diff = 0.03;
Atoms found LESS than expected: % Diff = 0.03;
 submit data
445.54 n/a O=C(C...
SO4 P:705;
Q:704;
Q:703;
P:704;
Q:706;
Q:705;
P:703;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4S2T 2.15 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF X-PROLYL AMINOPEPTIDASE FROM CAENORHABD ELEGANS: A CYTOSOLIC ENZYME WITH A DI-NUCLEAR ACTIVE SITE CAENORHABDITIS ELEGANS PITTA-BREAD FOLD METALLOPROTEASE ZINC BINDING HYDROLASE-HINHIBITOR COMPLEX
Ref.: CRYSTAL STRUCTURE OF X-PROLYL AMINOPEPTIDASE FROM CAENORHABDITIS ELEGANS: A CYTOSOLIC ENZYME WITH A D ACTIVE SITE. FEBS OPEN BIO V. 5 292 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 4S2T - 01B PRO PRO ALA NH2 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 1331 families.
1 4S2T - 01B PRO PRO ALA NH2 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 1144 families.
1 4S2T - 01B PRO PRO ALA NH2 n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 01B PRO PRO ALA NH2; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 01B PRO PRO ALA NH2 1 1
2 THR PRO PRO SER PRO PHE 0.583333 0.9
3 ACY 2L5 PRO PRO PRO PRO 2TL 0.485714 0.796875
4 ACE PHE PRO PRO PRO PRO THR 0.469388 0.789474
5 ACE PRO ALA PRO PHE ALA ALA ALA ALA NH2 0.46875 0.79661
6 MET PRO PRO PRO PRO TPO PRO ARG SER 0.45283 0.742424
7 ARG PRO PRO GLY PHE 0.451327 0.765625
8 ARG PRO PRO GLY PHE SER PRO PHE ARG 0.451327 0.765625
9 VAL PRO PRO PRO VAL PRO PRO PRO PRO SER 0.44898 0.819672
10 LYS THR PHE PRO PRO THR GLU PRO LYS 0.44186 0.870968
11 PHE PRO ARG 0.436893 0.714286
12 ARG PRO PRO GLY PHE SER PRO PHE ALA 0.43609 0.779412
13 PRO ALA PRO PHE PRO ALA NH2 0.435644 0.844828
14 ACE PRO ALA PRO PHE 0.434343 0.816667
15 TYR MET ASP PHE ASP ASP ASP ILE PRO PHE 0.43299 0.783333
16 ASP LEU PRO PHE 0.429907 0.803279
17 DPN PRO DAR DTH NH2 0.428571 0.784615
18 TYR PRO PHE PHE NH2 0.423077 0.833333
19 TRP ASP ILE PRO PHE 0.415094 0.803279
20 HIS PRO PHE 0.413462 0.816667
21 PRO ALA PRO PHE ALA ALA ALA 0.412281 0.830508
22 PRO PRO ALA TYR PRO PRO PRO PRO VAL PRO 0.411765 0.854839
23 ACY 2L5 PRO PRO PRO PRO NME 0.411765 0.734375
24 MAA LYS PRO PHE 0.409091 0.813559
25 06P 0.40625 0.741935
26 ALA DAL PRO PHE NIT 0.405405 0.690141
27 PRO ALA PRO PHE ALA SER ALA 0.4 0.83871
28 ALA THR PRO PHE GLN GLU 0.4 0.85
Similar Ligands (3D)
Ligand no: 1; Ligand: 01B PRO PRO ALA NH2; 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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