Receptor
PDB id Resolution Class Description Source Keywords
4AR8 2.05 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF THE PEPTIDASE DOMAIN OF COLLAGENASE T F CLOSTRIDIUM TETANI COMPLEXED WITH THE PEPTIDIC INHIBITOR ISP HOSPHONYL-GLY-PRO-ALA AT 2.05 ANGSTROM RESOLUTION. CLOSTRIDIUM TETANI HYDROLASE-INHIBITOR COMPLEX COLLAGENOLYSIS METALLOPROTEASEPEPTIDASE HYDROLASE
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:1731;
B:1731;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
CA B:1732;
A:1732;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
IP8 GLY PRO ALA D:0;
C:0;
Valid;
Valid;
none;
none;
submit data
394.385 n/a P(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4AR8 2.05 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF THE PEPTIDASE DOMAIN OF COLLAGENASE T F CLOSTRIDIUM TETANI COMPLEXED WITH THE PEPTIDIC INHIBITOR ISP HOSPHONYL-GLY-PRO-ALA AT 2.05 ANGSTROM RESOLUTION. CLOSTRIDIUM TETANI HYDROLASE-INHIBITOR COMPLEX COLLAGENOLYSIS METALLOPROTEASEPEPTIDASE HYDROLASE
Ref.: STRUCTURAL BASIS FOR ACTIVITY REGULATION AND SUBSTR PREFERENCE OF CLOSTRIDIAL COLLAGENASES G, H, AND T. J.BIOL.CHEM. V. 288 20184 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 319 families.
1 4AR8 - IP8 GLY PRO ALA n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 271 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 223 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 (2D)
Ligand no: 1; Ligand: IP8 GLY PRO ALA; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 IP8 GLY PRO ALA 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: IP8 GLY PRO ALA; 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 : 4AR8; Ligand: IP8 GLY PRO ALA; 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: 4ar8.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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