Structure of PDB 5xfm Chain C Binding Site BS01

Receptor Information
>5xfm Chain C (length=632) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMELQDVVVKGPDEKLQLAVFVQNETKPCYSVSYNGKTMLEKSPLGMNTN
IGDFTKNLKLTGHSVDKIDTVYQQTRIKVSNVHYRANELTCHLENEQGQK
LGVIFRVSDNDVAFRYTLPHQGGKASVTVKEEQTGFRFPEQTTTFLCPQS
DAMIGWKRTKPSYEEEYKADAPMSDRSQYGHGYTFPCLFRIGNDGWVLVS
ETGVDSRYCGSRLSDVSEGNLYTVAFPMAEENNGNGTVAPAFALPGATPW
RTITVGDHLKPIVETTVPWDVVSPLYETKHDYRFGRGTWSWILWQDGSIN
YDDQVRYIDFASAMGYEYALIDNWWDTRIGHQRMKSLVEYARDKGVELFL
WYSSSGYWNDIEQGPVNRMDNAIIRKREMKWLQSLGVKGIKVDFFGGDKQ
ETMRLYEDILSDADDHGLMVIFHGCTLPRGWERMYPNYVGSEAVLASENM
VFNQHFCDEEAFNTCLHPFIRNTVGSMEFGGCLLNKRLNRNNDGGTTRRT
TDVFQLATTVLLQNPVQNFALAPNNLKDVPAVCMDFMKRVPTTWDETRFV
DGYPGKYVVLARRQGDTWYLAAVNAGKEPLKLKLDLEMFAGKTVALYKDD
KKGEPELTSLKVKENGKVQLEIRPQGGILCIK
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 chain5xfm Chain C Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xfm A novel glycoside hydrolase family 97 enzyme: Bifunctional beta-l-arabinopyranosidase/ alpha-galactosidase from Bacteroides thetaiotaomicron.
Resolution2.3 Å
Binding residue
(original residue number in PDB)
E179 E457 E463
Binding residue
(residue number reindexed from 1)
E164 E442 E448
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5xfm, PDBe:5xfm, PDBj:5xfm
PDBsum5xfm
PubMed28804002
UniProtQ8A1K0

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