Structure of PDB 6rb7 Chain E Binding Site BS01

Receptor Information
>6rb7 Chain E (length=305) Species: 411470 (Mediterraneibacter gnavus ATCC 29149) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRNLEKYKGVIPAFYACYDKEGNISPEGVQGLTKYFVKKGVKGVYVNGSS
GECIYQSVEDRKIVLENVMKVAEGKLTVIAHVACNNTKDSQELARHAEGL
GVDAIAAIPPIYFHLPEYAIAQYWNAISAAAPNTDFVIYNIPQLAGVALT
QNLFVEMRKNPNVIGVANSSMPVQDIQMFKQAAGAEYIIFNGPDEQFMSG
RVIGAEGAIGGTYGAMPELYLKLDECINAGKMTEARKIQYACNEIIYKMC
SAHGNMYAVIKAILKINEGLELGAVREPLPALVDEDMEIVKEAAQMICDA
KKKFL
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 chain6rb7 Chain E Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6rb7 Elucidation of a sialic acid metabolism pathway in mucus-foraging Ruminococcus gnavus unravels mechanisms of bacterial adaptation to the gut.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		N255 P280
Binding residue
(residue number reindexed from 1)		N255 P280
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S49 Y112 Y139 L144 A167 I209
Catalytic site (residue number reindexed from 1) S49 Y112 Y139 L144 A167 I209
Enzyme Commision number 4.1.3.3: N-acetylneuraminate lyase.
Gene Ontology
Molecular Function
GO:0008747 N-acetylneuraminate lyase activity
GO:0016829 lyase activity
Biological Process
GO:0019262 N-acetylneuraminate catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6rb7, PDBe:6rb7, PDBj:6rb7
PDBsum6rb7
PubMed31636419
UniProtA7B555|NANA_MEDG7 N-acetylneuraminate lyase (Gene Name=nanA)

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