Structure of PDB 5mqp Chain D Binding Site BS01

Receptor Information
>5mqp Chain D (length=600) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGEIWISPQGNDLNDGTRPSPKATLTSALRQAREWRRTDDERVRGGITIC
MEGGTYALYEPVFIRPEDSGTEDSPTVIRPVADEKVVLSGGIRIGGWKKQ
GKLWVADVPMFNGRPLDFRQLWVNGKKAVRARDVEDFEKMNRICSVDEKN
EILYVPAVAIRRLVDGKGALKAKYAEMVLHQMWCVANLRIRSVELAGDSA
AIRFHQPESRIQFEHPWPRPMVTTDGHNSAFYLTNARELLDVAGEWYHDI
DARKVYYYPREGEKLQDAGTEVIVPAIETLIQVKGTFDRPVSHIRFEKIT
FSHTTWMRPSEKGHVPLQAGMYLTDGYRIDPKMERDYLNHPLDNQGWLGR
PAAAVSVAAANQIDFERCRFDHLGSTGLDYEEAVQGGVVRGCLFRDIAGN
GLVVGSFSPAAHETHLPYDPTDLREVCAHQQISNCYFTEVGNEDWGCLAI
LAGYVKDINIEHNEICEVPYSGISLGWGWTQTVNCMRNNRVHANLIHHYA
KHMYDVAGVYTLGSQPKSYVTENCVHSIYKPGYVHDPNHWFYLYTDEGSS
FITVRDNWTEGEKYLQNANGPGNVWENNGPQVDTVIRERAGLEAEYRDLK
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 chain5mqp Chain D Residue 701 [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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PDB5mqp The most complex carbohydrate known is degraded in the human gut by single organisms and not bacterial consortia
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R150 L257 D259 E263
Binding residue
(residue number reindexed from 1)		R132 L239 D241 E245
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.22: alpha-galactosidase.
3.2.1.n1: blood group B branched chain alpha-1,3-galactosidase.
External links