Structure of PDB 4nni Chain B Binding Site BS02

Receptor Information
>4nni Chain B (length=161) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLYFQHMRHFARTHAIGQIVPGKVTKLVPFGAFVRVEEGIEGLVHISELA
ERHVEVPDQVVAVGDDAMVKVIDIDLERRRISLSLKQANEDYTEEFDPAK
YGMADSYDEQGNYIFPEGFDAETNEWLEGFEKQRAEWEARYAEAERRHKM
HTAQMEKFAAA
Ligand information
Ligand IDVGL
InChIInChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
InChIKeyNIPZZXUFJPQHNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1nccnc1
OpenEye OEToolkits 1.6.1c1cnc(cn1)C(=O)O
CACTVS 3.352OC(=O)c1cnccn1
FormulaC5 H4 N2 O2
NamePYRAZINE-2-CARBOXYLIC ACID;
PYRAZINOIC ACID
ChEMBLCHEMBL613
DrugBank
ZINCZINC000001081066
PDB chain4nni Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nni Structural basis for targeting the ribosomal protein S1 of Mycobacterium tuberculosis by pyrazinamide.
Resolution2.64 Å
Binding residue
(original residue number in PDB)		F310 E318 R357
Binding residue
(residue number reindexed from 1)		F33 E41 R80
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding

View graph for
Molecular Function
External links
PDB RCSB:4nni, PDBe:4nni, PDBj:4nni
PDBsum4nni
PubMed25430994
UniProtP9WH43|RS1_MYCTU Small ribosomal subunit protein bS1 (Gene Name=rpsA)

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