Structure of PDB 8g6p Chain A Binding Site BS03

Receptor Information
>8g6p Chain A (length=508) Species: 1797 (Mycolicibacterium thermoresistibile) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMMNLRPSDPVGASLRHLAEQVHAVPIGSVEVPDLHISGITLRSQDARRG
DLFAALAGASAHGADHAADAVARGAVAVLTDSAGATRLDGTVPAPVLVHP
NPRTVLGELAATVYGRPADRLRVIGITGTSGKTTTAYLVEAGLRAADRVP
GLIGTVGVRIDGMDEPSALTTPEAPDLQALLAVMADRGVDTVVMEVSSHA
LSLHRVDGVRFAVGGFTNLSRDHLDFHPTMADYFAAKARLFDPQAPTCAE
RSVICIDDEAGRAMLAGAHRPVSVSATGQRADWVAEDVRFAGPTAQDFTA
VDPAGVRHRLRVGLPGRFNIANCLLAVALLDAVGVSPAQAAPGLRTATVP
GRLEPVDRGQDFLALVDYAHKPGALSAVLDSLRASATGRLAVVFGAGGNR
DPGKREEMGRVAAERADLVVVTDDNPRDEDPAAIRAAIVAGAKSVAGQAQ
IVEIADRREAIDHAVRWAGAGDVVLIAGKGHESGQTRGGQTRPFDDRAEL
AAALVART
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8g6p Chain A Residue 811 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8g6p The crystal structure of Mycobacterium thermoresistibile MurE ligase reveals the binding mode of the substrate m-diaminopimelate.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		T153 E193
Binding residue
(residue number reindexed from 1)		T155 E195
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.2.13: UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005524 ATP binding
GO:0008765 UDP-N-acetylmuramoylalanyl-D-glutamate-2,6-diaminopimelate ligase activity
GO:0016874 ligase activity
GO:0016881 acid-amino acid ligase activity
GO:0046872 metal ion binding
Biological Process
GO:0008360 regulation of cell shape
GO:0009058 biosynthetic process
GO:0009252 peptidoglycan biosynthetic process
GO:0051301 cell division
GO:0071555 cell wall organization
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:8g6p, PDBe:8g6p, PDBj:8g6p
PDBsum8g6p
PubMed36944394
UniProtG7CMG5

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