Receptor
PDB id Resolution Class Description Source Keywords
5NJB 1.5 Å EC: 3.4.-.- E. COLI MICROCIN-PROCESSING METALLOPROTEASE TLDD/E WITH ACTI BOUND ESCHERICHIA COLI K-12 METALLOPROTEASE MICROCIN CCDA DNA GYRASE HYDROLASE
Ref.: THE ORIGINS OF SPECIFICITY IN THE MICROCIN-PROCESSI PROTEASE TLDD/E. STRUCTURE V. 25 1549 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:504;
D:902;
D:903;
D:901;
C:504;
D:904;
B:501;
A:505;
B:502;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
BB2 C:502;
A:502;
 Valid;
Valid;
 none;
none;
 submit data
385.498 C19 H35 N3 O5 CCCCC...
MES A:503;
C:503;
 Invalid;
Invalid;
 none;
none;
 submit data
195.237 C6 H13 N O4 S C1COC...
ZN A:501;
C:501;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5NJ9 1.25 Å EC: 3.4.-.- E. COLI MICROCIN-PROCESSING METALLOPROTEASE TLDD/E WITH DRVY ANGIOTENSIN FRAGMENT BOUND ESCHERICHIA COLI K-12 METALLOPROTEASE MICROCIN CCDA DNA GYRASE HYDROLASE
Ref.: THE ORIGINS OF SPECIFICITY IN THE MICROCIN-PROCESSI PROTEASE TLDD/E. STRUCTURE V. 25 1549 2017
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5NJ9 - ASP ARG VAL TYR n/a n/a
2 5NJC - VAL LEU GLU ASP ARG ILE n/a n/a
3 5NJB - BB2 C19 H35 N3 O5 CCCCC[C@H]....
4 5NJF - ALA ALA ALA ALA ALA n/a n/a
5 5NJA - HIS PRO PHE 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 4 families.
1 5NJ9 - ASP ARG VAL TYR n/a n/a
2 5NJC - VAL LEU GLU ASP ARG ILE n/a n/a
3 5NJB - BB2 C19 H35 N3 O5 CCCCC[C@H]....
4 5NJF - ALA ALA ALA ALA ALA n/a n/a
5 5NJA - HIS PRO PHE 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 4 families.
1 5NJ9 - ASP ARG VAL TYR n/a n/a
2 5NJC - VAL LEU GLU ASP ARG ILE n/a n/a
3 5NJB - BB2 C19 H35 N3 O5 CCCCC[C@H]....
4 5NJF - ALA ALA ALA ALA ALA n/a n/a
5 5NJA - HIS PRO PHE n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BB2; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 BB2 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: BB2; Similar ligands found: 1
No: Ligand Similarity coefficient
1 BB1 0.8743
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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