Structure of PDB 3ho8 Chain C Binding Site BS03

Receptor Information
>3ho8 Chain C (length=995) Species: 158878 (Staphylococcus aureus subsp. aureus Mu50) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QIKKLLVANRGEIAIRIFRAAAELDISTVAIYSNEDKSSLHRYKADESYL
VGSDLGPAESYLNIERIIDVAKQANVDAIHPGYGFLSENEQFARRCAEEG
IKFIGPHLEHLDMFGDKVKARTTAIKADLPVIPGTDERYIDNPKHIEVQV
IGDEHGNIVHLFERDCSVQRRHQKVVEVAPSVGLSPTLRQRICDAAIQLM
ENIKYVNAGTVEFLVSGDEFFFIEVNPRVQVEHTITEMVTGIDIVKTQIL
VAAGADLFGEEINMPQQKDITTLGYAIQCRITTEDPLNDFMPDTGTIIAY
RSSGGFGVRLDAGDGFQGAEISPYYDSLLVKLSTHAISFKQAEEKMVRSL
REMRIRGVKTNIPFLINVMKNKKFTSGDYTTKFIEETPELFDIQPSLDRG
TKTLEYIGNVTINGFPNVEKRPKPDYELASIPTVSSSKIASFSGTKQLLD
EVGPKGVAEWVKKQDDVLLTDTTFRDAHQSLLATRVRTKDMINIASKTAD
VFKDGFSLEMWGGATFDVAYNFLKENPWERLERLRKAIPNVLFQMLLRAS
NAVGYKNYPDNVIHKFVQESAKAGIDVFRIFDSLNWVDQMKVANEAVQEA
GKISEGTICYTGDILNPERSNIYTLEYYVKLAKELEREGFHILAIKDMAG
LLKPKAAYELIGELKSAVDLPIHLHTHDTSGNGLLTYKQAIDAGVDIIDT
AVASMSGLTSQPSANSLYYALNGFPRHLRTDIEGMESLSHYWSTVRTYYS
DFESDIKSPNTEIYQHEMPGGQYSNLSQQAKSLGLGERFDEVKDMYRRVN
FLFGDIVKVTPSSKVVGDMALYMVQNDLDEQSVITDGYKLDFPESVVSFF
KGEIGQPVNGFNKDLQAVILKGQEALTARPGEYLEPVDFEKVRELLEEEQ
QGPVTEQDIISYVLYPKVYEQYIQTRNQYGNLSLLDTPTFFFGMRNGETV
EIEIDKGKRLIIKLETISEPDENGNRTIYYAMNGQARRIYIKDEN
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 chain3ho8 Chain C Residue 2002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3ho8 A Symmetrical Tetramer for S. aureus Pyruvate Carboxylase in Complex with Coenzyme A.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		D572 H771 H773
Binding residue
(residue number reindexed from 1)		D476 H675 H677
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:3ho8, PDBe:3ho8, PDBj:3ho8
PDBsum3ho8
PubMed19523900
UniProtA0A0H3JRU9|PYC_STAAM Pyruvate carboxylase (Gene Name=pycA)

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