Structure of PDB 4hnt Chain C Binding Site BS01

Receptor Information

>4hnt Chain C (length=1059) Species: 1280 (Staphylococcus aureus)

QIKKLLVANRGEIAIRIFRAAAELDISTVAIYSNEDKSSLHRYKADESYL
VGSDLGPAESYLNIERIIDVAKQANVDAIHPGYGFLSENEQFARRCAEEG
IKFIGPHLEHLDMFGDKVKARTTAIKADLPVIPGTDGPIKSYELAKEFAE
EAGFPLMIKATSGGGGKGMRIVREESELEDAFHRAKSEAEKSFGNSEVYI
ERYIDNPKHIEVQVIGDEHGNIVHLFERDCSVQRRHQKVVEVAPSVGLSP
TLRQRICDAAIQLMENIKYVNAGTVEFLVSGDEFFFIEVNPRVQVEHTIT
EMVTGIDIVKTQILVAAGADLFGEEINMPQQKDITTLGYAIQCRITTEDP
LNDFMPDTGTIIAYRSSGGAGVRLDAGDGFQGAEISPYYDSLLVKLSTHA
ISFKQAEEKMVRSLREMRIRGVKTNIPFLINVMKNKKFTSGDYTTKFIEE
TPELFDIQPSLDRGTKTLEYIGNVTINGFPNVEKRPKPDYELASIPTVSS
SKIASFSGTKQLLDEVGPKGVAEWVKKQDDVLLTDTTFRDAHQSLLATRV
RTKDMINIASKTADVFKDGFSLEMWGGATFDVAYNFLKENPWERLERLRK
AIPNVLFQMLLRASNAVGYKNYPDNVIHKFVQESAKAGIDVFRIFDSLNW
VDQMKVANEAVQEAGKISEGTICYTGDILNPERSNIYTLEYYVKLAKELE
REGFHILAIKDMAGLLKPKAAYELIGELKSAVDLPIHLHTHDTSGNGLLT
YKQAIDAGVDIIDTAVASMSGLTSQPSANSLYYALNGFPRHLRTDIEGME
SLSHYWSTVRTYYSDFESDIKSPNTEIYQHEMPGGQYSNLSQQAKSLGLG
ERFDEVKDMYRRVNFLFGDIVKVTPSSKVVGDMALYMVQNDLDEQSVITD
GYKLDFPESVVSFFKGEIGQPVNGFNKDLQAVILKGQEALTARPGEYLEP
VDFEKVRELLEEEQQGPVTEQDIISYVLYPKVYEQYIQTRNQYGNLSLLD
TPTFFFGMRNGETVEIEIDKGKRLIIKLETISEPDENGNRTIYYAMNGQA
RRIYIKDEN

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 4hnt Chain C Residue 1201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4hnt Characterizing the Importance of the Biotin Carboxylase Domain Dimer for Staphylococcus aureus Pyruvate Carboxylase Catalysis.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): D572 K741 H771 H773
• Binding residue (residue number reindexed from 1): D540 K710 H739 H741
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K152 K194 S231 H244 R270 T309 E311 E324 N326 R328 E332 R377 D572 D678 K741 H771 H773 I794 S800 M801 T840 T908 S910 V922 N924 Q929
• Catalytic site (residue number reindexed from 1): K117 K159 S196 H209 R235 T274 E276 E288 N290 R292 E296 R344 D540 D646 K710 H739 H741 I762 S768 M769 T808 T874 S876 V888 N890 Q895
• 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:0042802 identical protein binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006090 pyruvate metabolic process
• GO:0006094 gluconeogenesis

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4hnt, PDBe:4hnt, PDBj:4hnt
• PDBsum: 4hnt
• PubMed: 23286247
• UniProt: A0A0H3JRU9|PYC_STAAM Pyruvate carboxylase (Gene Name=pycA)