Structure of PDB 6f90 Chain C Binding Site BS01

Receptor Information
>6f90 Chain C (length=692) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EITKYVNPFIGTGGNNYPGATSPFGMIQLSPDTSEAPNWGDASGYDYNRN
TIFGFSHTRLSGTGASDLIDITLMPTSSGRTSSAFTHDEEKARPGYYQVM
LKDENINAELTTTQRNGIHRYQYPAGKDAEIILDMDHSADKGSWGRRIIN
SQIRILNDHAVEGYRIITGWAKLRKIYFYMEFSSPILTSTLRDGGRVHEN
TAVINGTNLHGCFRFGQLNGKPLTCKVALSSVSMENARQNMEQEAPHWDF
DRYVAAADADWEKQLGKIEVKGTEVQKEIFYTALYHTMIQPNTMSDVNGE
YMAADYTTRKVANNETHYTTFSLWDTFRASHPLYTLLEPERVTDFVKSMI
RQYEYYGYLPIWQLWGQDNYCMIGNHSIPVITDAILKGIPGIDMEKAYEA
VYNSSVTSHPNSPFEVWEKYGFMPENIQTQSVSITLEQAFDDWCVAQLAA
KLNKDADYQRFHKRSEYYRNLFHPKTKFFQSKNDKGEWIEPFDPYQYGGN
GGHPFTEGNAWQYFWYVPHNIQALMELTGGTKAFEQKLDTFFTSGFVGQY
AHGNEPSHHVAYLYNFAGQPWKTQKYVSHILNTLYNNTSSGYAGNDDCGQ
MSAWYVFSAMGFYPVNPADGRYIIGSPLLDECTLKLAGNKEFRIRTIRKS
PEDIYIQSVTLNGKKHKDFFITHQDIMNGGTMVFKMGKKPSG
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain6f90 Chain C Residue 801 [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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PDB6f90 Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		N594 E595 D637
Binding residue
(residue number reindexed from 1)		N554 E555 D597
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
Biological Process
GO:0005975 carbohydrate metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6f90, PDBe:6f90, PDBj:6f90
PDBsum6f90
PubMed29717710
UniProtQ8A325

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