Structure of PDB 5y8n Chain A Binding Site BS02

Receptor Information
>5y8n Chain A (length=290) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTIAFLGLGNMGAPMSANLVGAGHVVRGFDPAPTAASGAAAHGVAVFRSA
PEAVAEADVVITMLPTGEVVRRCYTDVLAAARPATLFIDSSTISVTDARE
VHALAESHGMLQLDAPVSGGVKGAAAATLAFMVGGDESTLRRARPVLEPM
AGKIIHCGAAGAGQAAKVCNNMVLAVQQIAIAEAFVLAEKLGLSAQSLFD
VITGATGNCWAVHTNCPVPGPVPTSPANNDFKPGFSTALMNKDLGLAMDA
VAATGATAPLGSHAADIYAKFAADHADLDFSAVIHTLRAR
Ligand information
Ligand IDSER
InChIInChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1
InChIKeyMTCFGRXMJLQNBG-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CO)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)O
CACTVS 3.341N[C@@H](CO)C(O)=O
ACDLabs 10.04O=C(O)C(N)CO
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)O
FormulaC3 H7 N O3
NameSERINE
ChEMBLCHEMBL11298
DrugBankDB00133
ZINCZINC000000895034
PDB chain5y8n Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5y8n Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase.
Resolution2.68 Å
Binding residue
(original residue number in PDB)		K168 F236 D244
Binding residue
(residue number reindexed from 1)		K167 F235 D243
Annotation score2
Enzymatic activity
Enzyme Commision number 1.1.1.31: 3-hydroxyisobutyrate dehydrogenase.
Gene Ontology
Molecular Function
GO:0008442 3-hydroxyisobutyrate dehydrogenase activity
GO:0016491 oxidoreductase activity
GO:0016616 oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor
GO:0050661 NADP binding
GO:0051287 NAD binding
Biological Process
GO:0006574 valine catabolic process
GO:0009083 branched-chain amino acid catabolic process
GO:0016054 organic acid catabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5y8n, PDBe:5y8n, PDBj:5y8n
PDBsum5y8n
PubMed29959185
UniProtP9WNY5|MMSB_MYCTU Probable 3-hydroxyisobutyrate dehydrogenase (Gene Name=mmsB)

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