Structure of PDB 8gk8 Chain B Binding Site BS01

Receptor Information
>8gk8 Chain B (length=1053) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QIKKLLVANRGEIAIRIFAAAAELDISTVAIYSNEDKSSLHRYKADESYL
VGSDLGPAESYLNIERIIDVAKQANVDAIHPGYGFLSENEQFARRCAEEG
IKFIGPHLEHLDMFGDKVKARTTAIKADLPVIPGTDGPIKSYELAKEFAE
EAGFPLMIKAMRIVREESELEDAFHRAKSEAEKSNSEVYIERYIDNPKHI
EVQVIGDEHGNIVHLFERDCSVQRRHQKVVEVAPSVGLSPTLRQRICDAA
IQLMENIKYVNAGTVEFLVSGDEFFFIEVNPRVQVEHTITEMVTGIDIVK
TQILVAAGADLFGEEINMPQQKDITTLGYAIQCRITTEDPLNDFMPDTGT
IIAYRSSGGFGVRLDAGDGFQGAEISPYYDSLLVKLSTHAISFKQAEEKM
VRSLREMRIRGVKTNIPFLINVMKNKKFTSGDYTTKFIEETPELFDIQPS
LDRGTKTLEYIGNVTINGFPNVEKRPKPDYELASIPTVSSSKIASFSGTK
QLLDEVGPKGVAEWVKKQDDVLLTDTTFRDAHQSLLATRVRTKDMINIAS
KTADVFKDGFSLEMWGGATFDVAYNFLKENPWERLERLRKAIPNVLFQML
LRASNAVGYKNYPDNVIHKFVQESAKAGIDVFRIFDSLNWVDQMKVANEA
VQEAGKISEGTICYTGDILNPERSNIYTLEYYVKLAKELEREGFHILAIK
DMAGLLKPKAAYELIGELKSAVDLPIHLHTHDTSGNGLLTYKQAIDAGVD
IIDTAVASMSGLTSQPSANSLYYALNGFPRHLRTDIEGMESLSHYWSTVR
TYYSDFESDIKSPNTEIYQHEMPGGQYSNLSQQAKSLGLGERFDEVKDMY
RRVNFLFGDIVKVTPSSKVVGDMALYMVQNDLDEQSVITDGYKLDFPESV
VSFFKGEIGQPVNGFNKDLQAVILKGQEALTARPGEYLEPVDFEKVRELL
EEEQQGPVTEQDIISYVLYPKVYEQYIQTRNQYGNLSLLDTPTFFFGMRN
GETVEIEIDKGKRLIIKLETISEPDENGNRTIYYAMNGQARRIYIKDENM
KME
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 chain8gk8 Chain B Residue 1202 [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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PDB8gk8 R21A Staphylococcus aureus pyruvate carboxylase
Resolution2.68 Å
Binding residue
(original residue number in PDB)		D542 K712 H741 H743
Binding residue
(residue number reindexed from 1)		D530 K700 H729 H731
Annotation score1
Enzymatic activity
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:8gk8, PDBe:8gk8, PDBj:8gk8
PDBsum8gk8
PubMed37603581
UniProtA0A3A5LTU8

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