Structure of PDB 6jvu Chain F Binding Site BS02

Receptor Information
>6jvu Chain F (length=251) Species: 1328388 (Klebsiella pneumoniae MGH 78578) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDIVWNNIKAEARALADCEPMLASFYHATLLKHENLGSALSYMLANKLAS
PIMPAIAIREVVEEAYAADPEMIASAACDIQAVRTRDPAVDKYSTPLLYL
KGFHALQAYRIGHWLWTQGRRALAIFLQNQVSVSFQVDIHPAAKIGRGIM
LDHATGIVVGETAVIEDDVSILQSVTLGGTGKTSGDRHPKIREGVMIGAG
AKILGNIEVGRGAKIGAGSVVLQPVPPHTTAAGVPARIVGKPESDKPAMD
M
Ligand information
Ligand IDCYS
InChIInChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyXUJNEKJLAYXESH-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CS)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)S
CACTVS 3.341N[C@@H](CS)C(O)=O
ACDLabs 10.04O=C(O)C(N)CS
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)S
FormulaC3 H7 N O2 S
NameCYSTEINE
ChEMBLCHEMBL863
DrugBankDB00151
ZINCZINC000000895042
PDB chain6jvu Chain E Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6jvu Allosteric inhibition and kinetic characterization of Klebsiella pneumoniae CysE: An emerging drug target.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		G184 R192
Binding residue
(residue number reindexed from 1)		G179 R187
Annotation score2
Enzymatic activity
Enzyme Commision number 2.3.1.30: serine O-acetyltransferase.
Gene Ontology
Molecular Function
GO:0009001 serine O-acetyltransferase activity
GO:0016740 transferase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
Biological Process
GO:0006535 cysteine biosynthetic process from serine
GO:0008652 amino acid biosynthetic process
GO:0019344 cysteine biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6jvu, PDBe:6jvu, PDBj:6jvu
PDBsum6jvu
PubMed31751684
UniProtA6TFK2

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