Receptor
PDB id Resolution Class Description Source Keywords
4JE8 2.4 Å EC: 3.5.1.88 CRYSTAL STRUCTURE OF A HUMAN-LIKE MITOCHONDRIAL PEPTIDE DEFO COMPLEX WITH MET-ALA-SER ARABIDOPSIS THALIANA PEPTIDE DEFORMYLASE MITOCHONDRIAL HYDROLASE-PEPTIDE COMPLE
Ref.: UNDERSTANDING THE HIGHLY EFFICIENT CATALYSIS OF PRO PEPTIDE DEFORMYLASES BY SHEDDING LIGHT ON THE DETER SPECIFYING THE LOW ACTIVITY OF THE HUMAN COUNTERPAR ACTA CRYSTALLOGR.,SECT.D V. 70 242 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MET ALA SER E:1;
D:1;
 Valid;
Valid;
 none;
none;
 Kd = 6100 nM
291.348 n/a S(CCC...
ZN B:200;
A:200;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JE7 2.1 Å EC: 3.5.1.88 CRYSTAL STRUCTURE OF A HUMAN-LIKE MITOCHONDRIAL PEPTIDE DEFO COMPLEX WITH ACTINONIN ARABIDOPSIS THALIANA PEPTIDE DEFORMYLASE MITOCHONDRIAL ACTINONIN HYDROLASE-HYDINHIBITOR COMPLEX
Ref.: UNDERSTANDING THE HIGHLY EFFICIENT CATALYSIS OF PRO PEPTIDE DEFORMYLASES BY SHEDDING LIGHT ON THE DETER SPECIFYING THE LOW ACTIVITY OF THE HUMAN COUNTERPAR ACTA CRYSTALLOGR.,SECT.D V. 70 242 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 4JE8 Kd = 6100 nM MET ALA SER n/a n/a
2 4JE7 Kd = 395 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4JE8 Kd = 6100 nM MET ALA SER n/a n/a
2 4JE7 Kd = 395 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 3G5K - BB2 C19 H35 N3 O5 CCCCC[C@H]....
2 4JE8 Kd = 6100 nM MET ALA SER n/a n/a
3 4JE7 Kd = 395 nM BB2 C19 H35 N3 O5 CCCCC[C@H]....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MET ALA SER; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MET ALA SER 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: MET ALA SER; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JE7; Ligand: BB2; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4je7.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1RL4 BRR 44.1489
Pocket No.: 2; Query (leader) PDB : 4JE7; Ligand: BB2; Similar sites found with APoc: 1
This union binding pocket(no: 2) in the query (biounit: 4je7.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 1RL4 BRR 44.1489
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