Structure of PDB 3bg5 Chain A Binding Site BS02

Receptor Information
>3bg5 Chain A (length=1137) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QIKKLLVANRGEIAIRIFRAAAELDISTVAIYSNEDKSSLHRYKADESYL
VGSDLGPAESYLNIERIIDVAKQANVDAIHPGYGFLSENEQFARRCAEEG
IKFIGPHLEHLDMFGDKVKARTTAIKADLPVIPGTDGPIKSYELAKEFAE
EAGFPLMIKATSRIVREESELEDAFHRAKSEAEKSFGNSEVYIERYIDNP
KHIEVQVIGDEHGNIVHLFERDCSVQRRHQKVVEVAPSVGLSPTLRQRIC
DAAIQLMENIKYVNAGTVEFLVSGDEFFFIEVNPRVQVEHTITEMVTGID
IVKTQILVAAGADLFGEEINMPQQKDITTLGYAIQCRITTEDPLNDFMPD
TGTIIAYRSSGGFGVRLDAGDGFQGAEISPYYDSLLVKLSTHAISFKQAE
EKMVRSLREMRIRGVKTNIPFLINVMKNKKFTSGDYTTKFIEETPELFDI
QPSLDRGTKTLEYIGNVTINGFPNVEKRPKPDYELASIPTVSSSKIASFS
GTKQLLDEVGPKGVAEWVKKQDDVLLTDTTFRDAHQSLLATRVRTKDMIN
IASKTADVFKDGFSLEMWGGATFDVAYNFLKENPWERLERLRKAIPNVLF
QMLLRASNAVGYKNYPDNVIHKFVQESAKAGIDVFRIFDSLNWVDQMKVA
NEAVQEAGKISEGTICYTGDILNPERSNIYTLEYYVKLAKELEREGFHIL
AIKDMAGLLKPKAAYELIGELKSAVDLPIHLHTHDTSGNGLLTYKQAIDA
GVDIIDTAVASMSGLTSQPSANSLYYALNGFPRHLRTDIEGMESLSHYWS
TVRTYYSDFESDIKSPNTEIYQHEMPGGQYSNLSQQAKSLGLGERFDEVK
DMYRRVNFLFGDIVKVTPSSKVVGDMALYMVQNDLDEQSVITDGYKLDFP
ESVVSFFKGEIGQPVNGFNKDLQAVILKGQEALTARPGEYLEPVDFEKVR
ELLEEEQQGPVTEQDIISYVLYPKVYEQYIQTRNQYGNLSLLDTPTFFFG
MRNGETVEIEIDKGKRLIIKLETISEPDENGNRTIYYAMNGQARRIYIKD
ENVHTNANVKPKADKSNPSHIGAQMPGSVTEVKVSVGETVKANQPLLITE
AMKMETTIQAPFDGVIKQVTVNNGDTIATGDLLIEIE
Ligand information
Ligand IDPYR
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(=O)C(O)=O
OpenEye OEToolkits 1.7.6CC(=O)C(=O)O
ACDLabs 12.01O=C(C(=O)O)C
FormulaC3 H4 O3
NamePYRUVIC ACID
ChEMBLCHEMBL1162144
DrugBankDB00119
ZINCZINC000001532517
PDB chain3bg5 Chain A Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bg5 Crystal structures of human and Staphylococcus aureus pyruvate carboxylase and molecular insights into the carboxyltransfer reaction.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		L642 K741
Binding residue
(residue number reindexed from 1)		L603 K703
Annotation score5
Enzymatic activity
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004736 pyruvate carboxylase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006090 pyruvate metabolic process
GO:0006094 gluconeogenesis
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3bg5, PDBe:3bg5, PDBj:3bg5
PDBsum3bg5
PubMed18297087
UniProtA0A0H3JRU9|PYC_STAAM Pyruvate carboxylase (Gene Name=pycA)

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