Receptor
PDB id Resolution Class Description Source Keywords
4ICS 1.97 Å EC: 3.4.11.- CRYSTAL STRUCTURE OF PEPS FROM STREPTOCOCCUS PNEUMONIAE IN C WITH A SUBSTRATE STREPTOCOCCUS PNEUMONIAE PEPS AMINOPEPTIDASE CLAN MQ HYDROLASE
Ref.: STRUCTURE-BASED ELUCIDATION OF THE REGULATORY MECHA AMINOPEPTIDASE ACTIVITY. ACTA CRYSTALLOGR.,SECT.D V. 69 1738 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TRP GLY B:503;
A:503;
Valid;
Valid;
none;
none;
submit data
261.281 n/a O=C([...
ZN B:502;
A:501;
B:501;
A:502;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ICS 1.97 Å EC: 3.4.11.- CRYSTAL STRUCTURE OF PEPS FROM STREPTOCOCCUS PNEUMONIAE IN C WITH A SUBSTRATE STREPTOCOCCUS PNEUMONIAE PEPS AMINOPEPTIDASE CLAN MQ HYDROLASE
Ref.: STRUCTURE-BASED ELUCIDATION OF THE REGULATORY MECHA AMINOPEPTIDASE ACTIVITY. ACTA CRYSTALLOGR.,SECT.D V. 69 1738 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4ICS - TRP GLY 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 4 families.
1 4ICS - TRP GLY 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 3 families.
1 4ICS - TRP GLY n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TRP GLY; Similar ligands found: 23
No: Ligand ECFP6 Tc MDL keys Tc
1 TRP GLY 1 1
2 TRP GLU GLU LEU 0.55 0.72
3 TRP LEU PHE VAL GLN ARG ASP SER LYS GLU 0.527027 0.733333
4 LTN 0.508197 0.674419
5 LYS TRP 0.5 0.822222
6 ASP TRP ASN 0.493671 0.734694
7 GLU ASP ASN ASP TRP ASN 0.493671 0.734694
8 TRP 0.484375 0.636364
9 DTR 0.484375 0.636364
10 LYS TRP LYS 0.481013 0.770833
11 TR7 0.455882 0.608696
12 TYR GLU TRP 0.449438 0.72
13 TRP PRO TRP 0.443182 0.703704
14 GLU LEU ASP LYS TRP ALA GLY 0.442308 0.735849
15 ACE GLU TRP TRP TRP 0.440476 0.734694
16 R38 0.434211 0.744681
17 R59 0.434211 0.744681
18 ARG LEU TRP SER 0.427083 0.633333
19 TSR 0.42623 0.666667
20 IAG 0.42029 0.840909
21 MET ASN TRP ASN ILE 0.417582 0.679245
22 SER ARG ARG TRP ARG ARG TRP ASN ARG 0.405941 0.629032
23 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.4 0.673077
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ICS; Ligand: TRP GLY; Similar sites found: 3
This union binding pocket(no: 1) in the query (biounit: 4ics.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4B7E OGA 0.01734 0.40151 3.15186
2 4K38 SAM 0.0132 0.40206 11.0811
3 2P3B 3TL 0.02997 0.40676 16.1616
Pocket No.: 2; Query (leader) PDB : 4ICS; Ligand: TRP GLY; Similar sites found: 4
This union binding pocket(no: 2) in the query (biounit: 4ics.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1XRO LEU 0.02935 0.40777 2.73038
2 3CV6 HXS 0.04729 0.40169 3.71517
3 3CV6 NAP 0.04549 0.40169 3.71517
4 4NKT 2KH 0.01732 0.4003 3.81232
Feedback