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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: 38
This union binding pocket(no: 1) in the query (biounit: 3ucj.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1IT7 GUN 2.20264
2 2RHO GDP 2.64317
3 2RGJ FAD 2.64317
4 4N49 MGT 2.64317
5 1XAJ CRB 3.0837
6 1XAJ NAD 3.0837
7 4MIB 28M 3.0837
8 1TD2 PXL 3.0837
9 3EYA FAD 3.0837
10 5YFT RI2 3.52423
11 6AMI TRP 3.52423
12 3LU1 NAD 3.52423
13 6AM8 PLT 3.52423
14 1S17 GNR 3.88889
15 5K8B PDG 3.97022
16 6GMN F4E 4.12371
17 1C0I FAD 4.40529
18 1C0I BE2 4.40529
19 2J5V PCA 4.40529
20 3TKY SAH 4.40529
21 5FI3 NAP 4.84582
22 1ORR NAD 5.28634
23 1RQ2 CIT 5.72687
24 4JD3 COA 5.72687
25 3LL5 IP8 5.72687
26 4JTA NAP 5.72687
27 1OFU GDP 5.88235
28 5GSN FAD 6.1674
29 5LXT GTP 6.60793
30 3HKW IX6 7.04846
31 1MXH DHF 7.04846
32 1MXH NAP 7.04846
33 3HRD MCN 9.2511
34 3O0Q GDP 9.69163
35 3O0Q ADN 9.69163
36 5B3A 0JO 10.1322
37 1W5F G2P 10.5727
38 5GM1 SAH 10.5727
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: 8
This union binding pocket(no: 3) in the query (biounit: 3ucj.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 1Y0G 8PP None
2 2RHO GSP 2.64317
3 1SB8 NAD 2.64317
4 4RW3 DKA 3.52423
5 1WVG APR 3.96476
6 1LLU NAD 7.04846
7 4GLL NAD 7.04846
8 4MRT COA 32.2222
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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