Structure of PDB 3bg3 Chain C Binding Site BS02

Receptor Information
>3bg3 Chain C (length=604) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QNRAQKLLHYLGHVMVNGPTTPIPVKASPSPTDPVVPAVPIGPPPAGFRD
ILLREGPEGFARAVRNHPGLLLMDTTFRDAHQSLLATRVRTHDLKKIAPY
VAHNFSKLFSMENWGGATFDVAMRFLYECPWRRLQELRELIPNIPFQMLL
RGANAVGYTNYPDNVVFKFCEVAKENGMDVFRVFDSLNYLPNMLLGMEAA
GSAGGVVEAAISYTGDVADPSRTKYSLQYYMGLAEELVRAGTHILCIKDM
AGLLKPTACTMLVSSLRDRFPDLPLHIHTHDTSGAGVAAMLACAQAGADV
VDVAADSMSGMTSQPSMGALVACTRGTPLDTEVPMERVFDYSEYWEGARG
LYAAFDCTATMKSGNSDVYENEIPGGQYTNLHFQAHSMGLGSKFKEVKKA
YVEANQMLGDLIKVTPSSKIVGDLAQFMVQNGLSRAEAEAQAEELSFPRS
VVEFLQGYIGVPHGGFPEPFRSKVLKDLPRVEGRPGASLPPLDLQALEKE
LVDRHGEEVTPEDVLSAAMYPDVFAHFKDFTATFGPLDSLNTRLFLQGPK
IAEEFEVELERGKTLHIKALAVSDLNRAGQRQVFFELNGQLRSILVKDTQ
AMKE
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 chain3bg3 Chain C Residue 2000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bg3 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)		R571 Q575 L642 R644 K741
Binding residue
(residue number reindexed from 1)		R78 Q82 L149 R151 K248
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D572 D678 K741 H771 H773 T908
Catalytic site (residue number reindexed from 1) D79 D185 K248 H278 H280 T415
Enzyme Commision number 6.4.1.1: pyruvate carboxylase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004736 pyruvate carboxylase activity
GO:0005524 ATP binding
Biological Process
GO:0006090 pyruvate metabolic process
GO:0006094 gluconeogenesis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3bg3, PDBe:3bg3, PDBj:3bg3
PDBsum3bg3
PubMed18297087
UniProtP11498|PYC_HUMAN Pyruvate carboxylase, mitochondrial (Gene Name=PC)

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