Structure of PDB 3l21 Chain B Binding Site BS01

Receptor Information
>3l21 Chain B (length=295) Species: 1773 (Mycobacterium tuberculosis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FDVAARLGTLLTAMVTPFSGDGSLDTATAARLANHLVDQGCDGLVVSGTT
GESPTTTDGEKIELLRAVLEAVGDRARVIAGAGTYDTAHSIRLAKACAAE
GAHGLLVVTPYYSKPPQRGLQAHFTAVADATELPMLLYDIPGRSAVPIEP
DTIRALASHPNIVGVKDAKADLHSGAQIMADTGLAYYSGDDALNLPWLRM
GATGFISVIAHLAAGQLRELLSAFGSGDIATARKINIAVAPLCNAMSRLG
GVTLSKAGLRLQGIDVGDPRLPQVAATPEQIDALAADMRAASVLR
Ligand information
Ligand IDPYR
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)C(=O)O
ACDLabs 12.01O=C(C(=O)O)C
FormulaC3 H4 O3
NamePYRUVIC ACID
ChEMBLCHEMBL1162144
DrugBankDB00119
ZINCZINC000001532517
PDB chain3l21 Chain B Residue 313 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3l21 A dimeric mutant of DHDPS from Mycobacterium tuberculosis
Resolution2.1 Å
Binding residue
(original residue number in PDB)		T208 L226
Binding residue
(residue number reindexed from 1)		T203 L221
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T54 Y117 Y143 R148 K171 I211
Catalytic site (residue number reindexed from 1) T49 Y112 Y138 R143 K166 I206
Enzyme Commision number 4.3.3.7: 4-hydroxy-tetrahydrodipicolinate synthase.
Gene Ontology
Molecular Function
GO:0008840 4-hydroxy-tetrahydrodipicolinate synthase activity
GO:0016829 lyase activity
Biological Process
GO:0009085 lysine biosynthetic process
GO:0009089 lysine biosynthetic process via diaminopimelate
GO:0019877 diaminopimelate biosynthetic process
GO:0044281 small molecule metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3l21, PDBe:3l21, PDBj:3l21
PDBsum3l21
PubMed
UniProtP9WP25|DAPA_MYCTU 4-hydroxy-tetrahydrodipicolinate synthase (Gene Name=dapA)

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