Structure of PDB 6f8z Chain A Binding Site BS01

Receptor Information
>6f8z Chain A (length=715) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QAGEITKYVNPFIGTGAIDGGLSGNNYPGATSPFGMIQLSPDTSEAPNWG
DASGYDYNRNTIFGFSHTRLSGTGASDLIDITLMPTSSGRTSSAFTHDEE
KARPGYYQVMLKDENINAELTTTQRNGIHRYQYPAGKDAEIILDMDHSAD
KGSWGRRIINSQIRILNDHAVEGYRIITGWAKLRKIYFYMEFSSPILTST
LRDGGRVHENTAVINGTNLHGCFRFGQLNGKPLTCKVALSSVSMENARQN
MEQEAPHWDFDRYVAAADADWEKQLGKIEVKGTEVQKEIFYTALYHTMIQ
PNTMSDVNGEYMAADYTTRKVANNETHYTTFSLWDTFRASHPLYTLLEPE
RVTDFVKSMIRQYEYYGYLPIWQLWGQDNYCMIGNHSIPVITDAILKGIP
GIDMEKAYEAVYNSSVTSHPNSPFEVWEKYGFMPENIQTQSVSITLEQAF
DDWCVAQLAAKLNKDADYQRFHKRSEYYRNLFHPKTKFFQSKNDKGEWIE
PFDPYQYGGNGGHPFTEGNAWQYFWYVPHNIQALMELTGGTKAFEQKLDT
FFTSTYKSMNHNASGFVGQYAHGNEPSHHVAYLYNFAGQPWKTQKYVSHI
LNTLYNNTSSGYAGNDDCGQMSAWYVFSAMGFYPVNPADGRYIIGSPLLD
ECTLKLAGNKEFRIRTIRKSPEDIYIQSVTLNGKKHKDFFITHQDIMNGG
TMVFKMGKKPSGWGK
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 chain6f8z Chain A 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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PDB6f8z Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		G593 N594 E595 D637
Binding residue
(residue number reindexed from 1)		G573 N574 E575 D617
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:6f8z, PDBe:6f8z, PDBj:6f8z
PDBsum6f8z
PubMed29717710
UniProtQ8A325

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