Structure of PDB 2qf7 Chain B Binding Site BS03

Receptor Information
>2qf7 Chain B (length=1017) Species: 347834 (Rhizobium etli CFN 42) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPISKILVANRSEIAIRVFRAANELGIKTVAIWAEEDKLALHRFKADESY
QVGRGPHLRDLGPIESYLSIDEVIRVAKLSGADAIHPGYGLLSESPEFVD
ACNKAGIIFIGPKADTMRQLGNKVAARNLAISVGVPVVPATEPLPPVMLK
ASMRVIRVYLEKLVERARHVESQILGDTHGNVVHLFERDCSVQRRNQKVV
ERAPAPYLSEAQRQELAAYSLKIAGATNYIGAGTVEYLMDADTGKFYFIE
VNPRIQVEHTVTEVVTGIDIVKAQIHILDGAAIGTPQSGVPNQEDIRLNG
HALQCRVTTEDPEHNFIPDYGRITAYRSASGFGIRLDGGTSYSGAIITRY
YDPLLVKVTAWAPNPLEAISRMDRALREFRIRGVATNLTFLEAIIGHPKF
RDNSYTTRFIDTTPELFQQVRQDRATKLLTYLADVTVNGHPEAKDRPKPL
EAARPVVPYGNGVKDGTKQLLDTLGPKKFGEWMRNEKRVLLTDTTMRDGH
QSLLATRMRTYDIARIAGTYSHALPNLLSLECWGGATFDVSMRFLTEDPW
ERLALIREGAPNLLLQMLLRGANGVGYTNYPDNVVKYFVRQAAKGGIDLF
RVFDCLNWVENMRVSMDAIAEENKLCEAAICYTGDILNSARPKYDLKYYT
NLAVELEKAGAHIIAVKDMAGLLKPAAAKVLFKALREATGLPIHFHTHDT
SGIAAATVLAAVEAGVDAVDAAMDALSGNTSQPCLGSIVEALSGSERDPG
LDPAWIRRISFYWEAVRNQYAAFESDLKGPASEVYLHEMPGGQFTNLKEQ
ARSLGLETRWHQVAQAYADANQMFGDIVKVTPSSKVVGDMALMMVSQDLT
VADVVSPDREVSFPESVVSMLKGDLGQPPSGWPEALQKKALKGEKPYTVR
PGSLLKEADLDAERKVIEKKLEREVSDFEFASYLMYPKVFTDFALASDTY
GPVSVLPTPAYFYGLADGEELFADIEKGKTLVIVNQAVSATDSQGMVTVF
FELNGQPRRIKVPDRAH
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2qf7 Chain B Residue 1158 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2qf7 Domain architecture of pyruvate carboxylase, a biotin-dependent multifunctional enzyme
Resolution2.0 Å
Binding residue
(original residue number in PDB)		M534 R535 E537 D768
Binding residue
(residue number reindexed from 1)		M483 R484 E486 D717
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K124 K166 H216 R242 T281 E283 E297 N299 R301 E305 R353 D549 D655 K718 H747 H749 T882
Catalytic site (residue number reindexed from 1) K123 K150 H169 R195 T234 E236 E250 N252 R254 E258 R306 D498 D604 K667 H696 H698 T831
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
GO:0016874 ligase activity
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:2qf7, PDBe:2qf7, PDBj:2qf7
PDBsum2qf7
PubMed17717183
UniProtQ2K340

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