Structure of PDB 3ho8 Chain A Binding Site BS02

Receptor Information

>3ho8 Chain A (length=994) Species: 158878 (Staphylococcus aureus subsp. aureus Mu50)

QIKKLLVANRGEIAIRIFRAAAELDISTVAIYSNEDKSSLHRYKADESYL
VGSDLGPAESYLNIERIIDVAKQANVDAIHPGYGFLSENEQFARRCAEEG
IKFIGPHLEHLDMFGDKVKARTTAIKADLPVIPGTDRYIDNPKHIEVQVI
GDEHGNIVHLFERDCSVQRRHQKVVEVAPSVGLSPTLRQRICDAAIQLME
NIKYVNAGTVEFLVSGDEFFFIEVNPRVQVEHTITEMVTGIDIVKTQILV
AAGADLFGEEINMPQQKDITTLGYAIQCRITTEDPLNDFMPDTGTIIAYR
SSGGFGVRLDAGDGFQGAEISPYYDSLLVKLSTHAISFKQAEEKMVRSLR
EMRIRGVKTNIPFLINVMKNKKFTSGDYTTKFIEETPELFDIQPSLDRGT
KTLEYIGNVTINGFPNVEKRPKPDYELASIPTVSSSKIASFSGTKQLLDE
VGPKGVAEWVKKQDDVLLTDTTFRDAHQSLLATRVRTKDMINIASKTADV
FKDGFSLEMWGGATFDVAYNFLKENPWERLERLRKAIPNVLFQMLLRASN
AVGYKNYPDNVIHKFVQESAKAGIDVFRIFDSLNWVDQMKVANEAVQEAG
KISEGTICYTGDILNPERSNIYTLEYYVKLAKELEREGFHILAIKDMAGL
LKPKAAYELIGELKSAVDLPIHLHTHDTSGNGLLTYKQAIDAGVDIIDTA
VASMSGLTSQPSANSLYYALNGFPRHLRTDIEGMESLSHYWSTVRTYYSD
FESDIKSPNTEIYQHEMPGGQYSNLSQQAKSLGLGERFDEVKDMYRRVNF
LFGDIVKVTPSSKVVGDMALYMVQNDLDEQSVITDGYKLDFPESVVSFFK
GEIGQPVNGFNKDLQAVILKGQEALTARPGEYLEPVDFEKVRELLEEEQQ
GPVTEQDIISYVLYPKVYEQYIQTRNQYGNLSLLDTPTFFFGMRNGETVE
IEIDKGKRLIIKLETISEPDENGNRTIYYAMNGQARRIYIKDEN

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: 3ho8 Chain A Residue 2002

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ho8 A Symmetrical Tetramer for S. aureus Pyruvate Carboxylase in Complex with Coenzyme A.
• Resolution: 2.9 Å
• Binding residue (original residue number in PDB): D572 H771 H773
• Binding residue (residue number reindexed from 1): D475 H674 H676
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K152 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 H144 R170 T209 E211 E223 N225 R227 E231 R279 D475 D581 K645 H674 H676 I697 S703 M704 T743 T809 S811 V823 N825 Q830
• 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:3ho8, PDBe:3ho8, PDBj:3ho8
• PDBsum: 3ho8
• PubMed: 19523900
• UniProt: A0A0H3JRU9|PYC_STAAM Pyruvate carboxylase (Gene Name=pycA)