Structure of PDB 3i09 Chain A Binding Site BS01

Receptor Information
>3i09 Chain A (length=375) Species: 13373 (Burkholderia mallei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GADSVKIGFITDMSGLYADIDGQGGLEAIKMAVADFGGKVNGKPIEVVYA
DHQNKADIAASKAREWMDRGGLDLLVGGTNSATALSMNQVAAEKKKVYIN
IGAGADTLTNEQCTPYTVHYAYDTMALAKGTGSAVVKQGGKTWFFLTADY
AFGKALEKNTADVVKANGGKVLGEVRHPLSASDFSSFLLQAQSSKAQILG
LANAGGDTVNAIKAAKEFGITKTMKLAALLMFINDVHALGLETTQGLVLT
DSWYWNRDQASRQWAQRYFAKMKKMPSSLQAADYSSVTTYLKAVQAAGST
DSDKVMAQLKKMKIDDFYAKGYIRTDGSMIHDMYLMEVKKPSESKEPWDY
YKVVATIPGEQAFTTKQETRCALWK
Ligand information
Ligand IDAAE
InChIInChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
InChIKeyWDJHALXBUFZDSR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)CC(=O)O
ACDLabs 10.04O=C(C)CC(=O)O
CACTVS 3.341CC(=O)CC(O)=O
FormulaC4 H6 O3
NameACETOACETIC ACID
ChEMBLCHEMBL1230762
DrugBankDB01762
ZINCZINC000000895089
PDB chain3i09 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3i09 Crystal structure of Periplasmic Binding Protein BMA293 (YP_104442.1) from Burkholderia mallei ATCC 23344 at 1.80 A resolution
Resolution1.8 Å
Binding residue
(original residue number in PDB)		T102 N103 S104 G125 A126 Y173 F175
Binding residue
(residue number reindexed from 1)		T79 N80 S81 G102 A103 Y150 F152
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links