Structure of PDB 4hnv Chain C Binding Site BS01

Receptor Information
>4hnv Chain C (length=1067) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QIKKLLVANRGEIAIRIFEAAAELDISTVAIYSNEDKSSLHRYKADESYL
VGSDLGPAESYLNIERIIDVAKQANVDAIHPGYGFLSENEQFARRCAEEG
IKFIGPHLEHLDMFGDKVKARTTAIKADLPVIPGTDGPIKSYELAKEFAE
EAGFPLMIKATSGGGGKGMRIVREESELEDAFHRAKSEAEKSFGNSEVYI
ERYIDNPKHIEVQVIGDEHGNIVHLFERDCSVQRRHQKVVEVAPSVGLSP
TLRQRICDAAIQLMENIKYVNAGTVEFLVSGDEFFFIEVNPRVQVEHTIT
EMVTGIDIVKTQILVAAGADLFGEEINMPQQKDITTLGYAIQCRITTEDP
LNDFMPDTGTIIAYRSSGGFGVRLDAGDGFQGAEISPYYDSLLVKLSTHA
ISFKQAEEKMVRSLREMRIRGVKTNIPFLINVMKNKKFTSGDYTTKFIEE
TPELFDIQPSLDRGTKTLEYIGNVTINGFPNVEKRPKPDYELASIPTVSS
SKIASFSGTKQLLDEVGPKGVAEWVKKQDDVLLTDTTFRDAHQSLLATRV
RTKDMINIASKTADVFKDGFSLEMWGGATFDVAYNFLKENPWERLERLRK
AIPNVLFQMLLRASNAVGYKNYPDNVIHKFVQESAKAGIDVFRIFDSLNW
VDQMKVANEAVQEAGKISEGTICYTGDILNPERSNIYTLEYYVKLAKELE
REGFHILAIKDMAGLLKPKAAYELIGELKSAVDLPIHLHTHDTSGNGLLT
YKQAIDAGVDIIDTAVASMSGLTSQPSANSLYYALNGFPRHLRTDIEGME
SLSHYWSTVRTYYSDFESDIKSPNTEIYQHEMPGGQYSNLSQQAKSLGLG
ERFDEVKDMYRRVNFLFGDIVKVTPSSKVVGDMALYMVQNDLDEQSVITD
GYKLDFPESVVSFFKGEIGQPVNGFNKDLQAVILKGQEALTARPGEYLEP
VDFEKVRELLEEEQQGPVTEQDIISYVLYPKVYEQYIQTRNQYGNLSLLD
TPTFFFGMRNGETVEIEIDKGKRLIIKLETISEPDENGNRTIYYAMNGQA
RRIYIKDENTEAMKMET
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4hnv Chain C Residue 1201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hnv Characterizing the Importance of the Biotin Carboxylase Domain Dimer for Staphylococcus aureus Pyruvate Carboxylase Catalysis.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D572 K741 H771 H773
Binding residue
(residue number reindexed from 1)		D540 K710 H739 H741
Annotation score1
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:4hnv, PDBe:4hnv, PDBj:4hnv
PDBsum4hnv
PubMed23286247
UniProtA0A0H3JRU9|PYC_STAAM Pyruvate carboxylase (Gene Name=pycA)

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