Structure of PDB 5ypw Chain F Binding Site BS02

Receptor Information
>5ypw Chain F (length=91) Species: 83334 (Escherichia coli O157:H7) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HDNVILELTVRNHPGVMTHVCGLFARRAFNVEGILCLPIQDSDKSHIWLL
VNDDQRLEQMISQIDKLEDVVKVQRNQSDPTMFNKIAVFFQ
Ligand information
Ligand IDVAL
InChIInChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyKZSNJWFQEVHDMF-BYPYZUCNSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)C(C)C
OpenEye OEToolkits 1.5.0CC(C)C(C(=O)O)N
OpenEye OEToolkits 1.5.0CC(C)[C@@H](C(=O)O)N
CACTVS 3.341CC(C)[C@H](N)C(O)=O
CACTVS 3.341CC(C)[CH](N)C(O)=O
FormulaC5 H11 N O2
NameVALINE
ChEMBLCHEMBL43068
DrugBankDB00161
ZINCZINC000000895099
PDB chain5ypw Chain F Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ypw Crystallographic Structures of IlvN·Val/Ile Complexes: Conformational Selectivity for Feedback Inhibition of Aceto Hydroxy Acid Synthases.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H20 G22 V23 M24 C43
Binding residue
(residue number reindexed from 1)		H13 G15 V16 M17 C36
Annotation score1
Enzymatic activity
Enzyme Commision number 2.2.1.6: acetolactate synthase.
Gene Ontology
Molecular Function
GO:0003984 acetolactate synthase activity
GO:0005515 protein binding
GO:0016740 transferase activity
GO:1990610 acetolactate synthase regulator activity
Biological Process
GO:0008652 amino acid biosynthetic process
GO:0009082 branched-chain amino acid biosynthetic process
GO:0009097 isoleucine biosynthetic process
GO:0009099 L-valine biosynthetic process
Cellular Component
GO:0005829 cytosol
GO:0005948 acetolactate synthase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ypw, PDBe:5ypw, PDBj:5ypw
PDBsum5ypw
PubMed30887800
UniProtP0ADF8|ILVN_ECOLI Acetolactate synthase isozyme 1 small subunit (Gene Name=ilvN)

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