Structure of PDB 6oyy Chain D Binding Site BS02

Receptor Information
>6oyy Chain D (length=91) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
cVTIDADLMDAADLLEGEQVTIVDIDNGARLVTYAITGERGSGVIGINGA
AAHLVHPGDLVILIAYATMDDARARTYQPRIVFVDAYNKPI
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 chain6oyy Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6oyy The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		V47 R54 I88
Binding residue
(residue number reindexed from 1)		V23 R30 I64
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.11: aspartate 1-decarboxylase.
Gene Ontology
Molecular Function
GO:0004068 aspartate 1-decarboxylase activity
Biological Process
GO:0006523 alanine biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6oyy, PDBe:6oyy, PDBj:6oyy
PDBsum6oyy
PubMed31953389
UniProtP9WIL3|PAND_MYCTU Aspartate 1-decarboxylase (Gene Name=panD)

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