Structure of PDB 5dx6 Chain B Binding Site BS04

Receptor Information
>5dx6 Chain B (length=557) Species: 573 (Klebsiella pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPRGSHMDKQYPVRQWAHGADLVVSQLEAQGVRQVFGIPGAKIDKVFDSL
LDSSIRIIPVRHEANAAFMAAAVGRITGKAGVALVTSGPGCSNLITGMAT
ANSEGDPVVALGGAVKRADKAKQVHQSMDTVAMFSPVTKYAIEVTAPDAL
AEVVSNAFRAAEQGRPGSAFVSLPQDVVDGPVSGKVLPASGAPQMGAAPD
DAIDQVAKLIAQAKNPIFLLGLMASQPENSKALRRLLETSHIPVTSTYQA
AGAVNQDNFSRFAGRVGLFNNQAGDRLLQLADLVICIGYSPVEYEPAMWN
SGNATLVHIDVLPAYEERNYTPDVELVGDIAGTLNKLAQNIDHRLVLSPQ
AAEILRDRQHQRELNQFALHPLRIVRAMQDIVNSDVTLTVDMGSFHIWIA
RYLYSFRARQVMISNGQQTMGVALPWAIGAWLVNPERKVVSVSGDGGFLQ
SSMELETAVRLKANVLHLIWVDNGYNMVAIQEEKKYQRLSGVEFGPMDFK
AYAESFGAKGFAVESAEALEPTLRAAMDVDGPAVVAIPVDYRDNPLLMGQ
LHLSQIL
Ligand information
Ligand ID65S
InChIInChI=1S/C3H3FO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)
InChIKeyCXABZTLXNODUTD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)C(=O)CF
ACDLabs 12.01OC(=O)C(CF)=O
OpenEye OEToolkits 2.0.4C(C(=O)C(=O)O)F
FormulaC3 H3 F O3
Name3-fluoro-2-oxopropanoic acid
ChEMBLCHEMBL1162543
DrugBank
ZINCZINC000001583794
PDB chain5dx6 Chain B Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5dx6 Characterization of Acetolactate Synthase from Klebsiella pneumoniae
Resolution1.75 Å
Binding residue
(original residue number in PDB)		G258 R259 Q266 A402 R403 Y406
Binding residue
(residue number reindexed from 1)		G264 R265 Q272 A400 R401 Y404
Annotation score1
Enzymatic activity
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0003984 acetolactate synthase activity
GO:0016740 transferase activity
GO:0030976 thiamine pyrophosphate binding
GO:0046872 metal ion binding
GO:0050660 flavin adenine dinucleotide binding
Biological Process
GO:0009097 isoleucine biosynthetic process
GO:0009099 L-valine biosynthetic process
GO:0019752 carboxylic acid metabolic process
GO:0034077 butanediol metabolic process
Cellular Component
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:5dx6, PDBe:5dx6, PDBj:5dx6
PDBsum5dx6
PubMed
UniProtP27696|ILVB_KLEPN Acetolactate synthase, catabolic (Gene Name=budB)

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