Structure of PDB 5mqp Chain E Binding Site BS02

Receptor Information
>5mqp Chain E (length=602) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSAGEIWISPQGNDLNDGTRPSPKATLTSALRQAREWRRTDDERVRGGIT
ICMEGGTYALYEPVFIRPEDSGTEDSPTVIRPVADEKVVLSGGIRIGGWK
KQGKLWVADVPMFNGRPLDFRQLWVNGKKAVRARDVEDFEKMNRICSVDE
KNEILYVPAVAIRRLVDGKGALKAKYAEMVLHQMWCVANLRIRSVELAGD
SAAIRFHQPESRIQFEHPWPRPMVTTDGHNSAFYLTNARELLDVAGEWYH
DIDARKVYYYPREGEKLQDAGTEVIVPAIETLIQVKGTFDRPVSHIRFEK
ITFSHTTWMRPSEKGHVPLQAGMYLTDGYRIDPKMERDYLNHPLDNQGWL
GRPAAAVSVAAANQIDFERCRFDHLGSTGLDYEEAVQGGVVRGCLFRDIA
GNGLVVGSFSPAAHETHLPYDPTDLREVCAHQQISNCYFTEVGNEDWGCL
AILAGYVKDINIEHNEICEVPYSGISLGWGWTQTVNCMRNNRVHANLIHH
YAKHMYDVAGVYTLGSQPKSYVTENCVHSIYKPGYVHDPNHWFYLYTDEG
SSFITVRDNWTEGEKYLQNANGPGNVWENNGPQVDTVIRERAGLEAEYRD
LK
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 E Residue 702 [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)		E21 R60 R62 G64
Binding residue
(residue number reindexed from 1)		E5 R44 R46 G48
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