Receptor
PDB id Resolution Class Description Source Keywords
3ZVS 1.4 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF ARCHAEMETZINCIN (AMZA) FROM ARCHAEOGLOB FULGIDUS AT 1.4 A RESOLUTION COMPLEXED WITH MALONATE ARCHAEOGLOBUS FULGIDUS METALLOPROTEASE PROTEASE HYDROLASE METZINCIN METAL-BINDI
Ref.: CRYSTAL STRUCTURES OF ARCHAEMETZINCIN REVEAL A MOLD SUBSTRATE-BINDING SITE. PLOS ONE V. 7 43863 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MLI A:1161;
A:1162;
B:1163;
C:1161;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
102.046 C3 H2 O4 C(C(=...
ZN A:1159;
A:1160;
B:1161;
B:1162;
C:1159;
C:1160;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ZVS 1.4 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF ARCHAEMETZINCIN (AMZA) FROM ARCHAEOGLOB FULGIDUS AT 1.4 A RESOLUTION COMPLEXED WITH MALONATE ARCHAEOGLOBUS FULGIDUS METALLOPROTEASE PROTEASE HYDROLASE METZINCIN METAL-BINDI
Ref.: CRYSTAL STRUCTURES OF ARCHAEMETZINCIN REVEAL A MOLD SUBSTRATE-BINDING SITE. PLOS ONE V. 7 43863 2012
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 3ZVS - MLI C3 H2 O4 C(C(=O)[O-....
2 4A3W - FLC C6 H5 O7 C(C(=O)[O-....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3ZVS - MLI C3 H2 O4 C(C(=O)[O-....
2 4A3W - FLC C6 H5 O7 C(C(=O)[O-....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 3ZVS - MLI C3 H2 O4 C(C(=O)[O-....
2 4A3W - FLC C6 H5 O7 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLI; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 MLI 1 1
2 OAA 0.5 0.666667
3 OXL 0.416667 0.642857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ZVS; Ligand: MLI; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 3zvs.bio2) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4WZV E40 6.25
Pocket No.: 2; Query (leader) PDB : 3ZVS; Ligand: MLI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3zvs.bio3) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3ZVS; Ligand: MLI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3zvs.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3ZVS; Ligand: MLI; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3zvs.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
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