Receptor
PDB id Resolution Class Description Source Keywords
3UCJ 1.85 Å EC: 4.2.1.1 COCCOMYXA BETA-CARBONIC ANHYDRASE IN COMPLEX WITH ACETAZOLAM COCCOMYXA SP. PA ALPHA/BETA STRAND EXCHANGE LYASE-LYASE INHIBITOR COMPLEX
Ref.: STRUCTURAL STUDIES OF [BETA]-CARBONIC ANHYDRASE FRO GREEN ALGA COCCOMYXA: INHIBITOR COMPLEXES WITH ANIO ACETAZOLAMIDE. PLOS ONE V. 6 28458 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AZM A:229;
B:229;
Valid;
Valid;
none;
none;
Ki = 1 uM
222.245 C4 H6 N4 O3 S2 CC(=O...
CL A:232;
Invalid;
none;
submit data
35.453 Cl [Cl-]
GOL A:231;
B:230;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PO4 A:230;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
ZN A:228;
B:228;
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
3UCJ 1.85 Å EC: 4.2.1.1 COCCOMYXA BETA-CARBONIC ANHYDRASE IN COMPLEX WITH ACETAZOLAM COCCOMYXA SP. PA ALPHA/BETA STRAND EXCHANGE LYASE-LYASE INHIBITOR COMPLEX
Ref.: STRUCTURAL STUDIES OF [BETA]-CARBONIC ANHYDRASE FRO GREEN ALGA COCCOMYXA: INHIBITOR COMPLEXES WITH ANIO ACETAZOLAMIDE. PLOS ONE V. 6 28458 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 3UCJ Ki = 1 uM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3UCJ Ki = 1 uM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 6D2O Ki = 5 uM 4MZ C4 H6 N2 Cc1c[nH]cn....
2 6D2N Ki = 10 uM FUS H4 N2 O2 S NS(=O)(=O)....
3 3UCJ Ki = 1 uM AZM C4 H6 N4 O3 S2 CC(=O)Nc1n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AZM; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 AZM 1 1
2 ARZ 0.471698 0.850746
3 1GO 0.446429 0.904762
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3UCJ; Ligand: AZM; 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: 3ucj.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3UCJ; Ligand: AZM; 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: 3ucj.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3UCJ; Ligand: AZM; 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: 3ucj.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3UCJ; Ligand: AZM; 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: 3ucj.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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