Receptor
PDB id Resolution Class Description Source Keywords
4K90 1.8 Å EC: 3.4.24.- EXTRACELLULAR METALLOPROTEINASE FROM ASPERGILLUS ASPERGILLUS FUMIGATUS M36 PROTEASE HYDROLASE
Ref.: A FUNCTIONAL AND STRUCTURAL STUDY OF THE MAJOR METALLOPROTEASE SECRETED BY THE PATHOGENIC FUNGUS ASPERGILLUS FUMIGATUS. ACTA CRYSTALLOGR.,SECT.D V. 69 1946 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:708;
B:305;
A:707;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
BO3 A:706;
B:304;
A:705;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
61.833 B H3 O3 B(O)(...
CA A:703;
A:702;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MLA A:704;
Valid;
none;
submit data
104.061 C3 H4 O4 C(C(=...
ZN A:701;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
NAG BMA NAG B:302;
Invalid;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4K90 1.8 Å EC: 3.4.24.- EXTRACELLULAR METALLOPROTEINASE FROM ASPERGILLUS ASPERGILLUS FUMIGATUS M36 PROTEASE HYDROLASE
Ref.: A FUNCTIONAL AND STRUCTURAL STUDY OF THE MAJOR METALLOPROTEASE SECRETED BY THE PATHOGENIC FUNGUS ASPERGILLUS FUMIGATUS. ACTA CRYSTALLOGR.,SECT.D V. 69 1946 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 4K90 - MLA C3 H4 O4 C(C(=O)O)C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 4K90 - MLA C3 H4 O4 C(C(=O)O)C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4K90 - MLA C3 H4 O4 C(C(=O)O)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLA; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 MLA 1 1
2 AAE 0.6 0.631579
3 3OH 0.533333 0.619048
4 SIN 0.5 0.722222
5 98J 0.428571 0.608696
6 GUA 0.411765 0.65
7 0L1 0.411765 0.619048
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4K90; Ligand: MLA; 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: 4k90.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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