Receptor
PDB id Resolution Class Description Source Keywords
2WT9 1.65 Å EC: 3.5.1.19 ACINETOBACTER BAUMANII NICOTINAMIDASE PYRAZINAMIDEASE ACINETOBACTER BAUMANNII HYDROLASE PYRAZINAMIDASE
Ref.: SPECIFICITY AND MECHANISM OF ACINETOBACTER BAUMANII NICOTINAMIDASE: IMPLICATIONS FOR ACTIVATION OF THE LINE TUBERCULOSIS DRUG PYRAZINAMIDE. ANGEW.CHEM.INT.ED.ENGL. V. 48 9176 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL A:1213;
A:1215;
B:1213;
B:1214;
B:1215;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NIO A:1216;
B:1216;
Valid;
Valid;
none;
none;
submit data
123.109 C6 H5 N O2 c1cc(...
ZN A:1212;
B:1212;
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
2WT9 1.65 Å EC: 3.5.1.19 ACINETOBACTER BAUMANII NICOTINAMIDASE PYRAZINAMIDEASE ACINETOBACTER BAUMANNII HYDROLASE PYRAZINAMIDASE
Ref.: SPECIFICITY AND MECHANISM OF ACINETOBACTER BAUMANII NICOTINAMIDASE: IMPLICATIONS FOR ACTIVATION OF THE LINE TUBERCULOSIS DRUG PYRAZINAMIDE. ANGEW.CHEM.INT.ED.ENGL. V. 48 9176 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WTA - VGL C5 H4 N2 O2 c1cnc(cn1)....
2 2WT9 - NIO C6 H5 N O2 c1cc(cnc1)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WTA - VGL C5 H4 N2 O2 c1cnc(cn1)....
2 2WT9 - NIO C6 H5 N O2 c1cc(cnc1)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2WTA - VGL C5 H4 N2 O2 c1cnc(cn1)....
2 2WT9 - NIO C6 H5 N O2 c1cc(cnc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: NIO; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 NIO 1 1
2 5F8 0.487805 0.789474
3 BEZ 0.433333 0.625
4 5HN 0.428571 0.695652
5 61O 0.418605 0.714286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WT9; Ligand: NIO; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 2wt9.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3O94 NCA 43.128
Pocket No.: 2; Query (leader) PDB : 2WT9; Ligand: NIO; 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: 2wt9.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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