Receptor
PDB id Resolution Class Description Source Keywords
4ARF 1.77 Å EC: 3.4.24.3 CRYSTAL STRUCTURE OF THE PEPTIDASE DOMAIN OF COLLAGENASE H F CLOSTRIDIUM HISTOLYTICUM IN COMPLEX WITH THE PEPTIDIC INHIBI SOAMYLPHOSPHONYL-GLY-PRO-ALA AT 1.77 ANGSTROM RESOLUTION. CLOSTRIDIUM HISTOLYTICUM HYDROLASE-INHIBITOR COMPLEX COLLAGENOLYSIS HYDROLYSE METALLOPROTEASE HEXXH
Ref.: STRUCTURAL BASIS FOR ACTIVITY REGULATION AND SUBSTR PREFERENCE OF CLOSTRIDIAL COLLAGENASES G, H, AND T. J.BIOL.CHEM. V. 288 20184 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:1722;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
CA A:1723;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
IP8 GLY PRO ALA B:1;
Valid;
none;
submit data
n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5O7E 1.87 Å EC: 3.4.24.3 CRYSTAL STRUCTURE OF THE PEPTIDASE DOMAIN OF COLLAGENASE H F CLOSTRIDIUM HISTOLYTICUM IN COMPLEX WITH N-ARYL MERCAPTOACEB ASED INHIBITOR HATHEWAYA HISTOLYTICA HYDROLASE-INHIBITOR COMPLEX GLUZINCIN METALLOPROTEASE COLHYDROLASE
Ref.: DISCOVERY OF A POTENT INHIBITOR CLASS WITH HIGH SEL TOWARD CLOSTRIDIAL COLLAGENASES. J. AM. CHEM. SOC. V. 139 12696 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4ARF - IP8 GLY PRO ALA n/a n/a
2 5O7E ic50 = 0.017 uM 9NB C10 H11 N O2 S CC(=O)c1cc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 4AR8 - IP8 GLY PRO ALA n/a n/a
2 4ARF - IP8 GLY PRO ALA n/a n/a
3 5O7E ic50 = 0.017 uM 9NB C10 H11 N O2 S CC(=O)c1cc....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 4AR8 - IP8 GLY PRO ALA n/a n/a
2 4ARF - IP8 GLY PRO ALA n/a n/a
3 5O7E ic50 = 0.017 uM 9NB C10 H11 N O2 S CC(=O)c1cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IP8 GLY PRO ALA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5O7E; Ligand: 9NB; 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: 5o7e.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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