Structure of PDB 2jka Chain B Binding Site BS01

Receptor Information
>2jka Chain B (length=687) Species: 226186 (Bacteroides thetaiotaomicron VPI-5482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQKLTSPDNNLVMTFQVDSKGAPTYELTYKNKVVIKPSTLGLELKKEDSK
TNLYDGFEVKDTQTATFDETWQPVWGEEKEIRNHYNELAVTLYQPMNDRS
IVIRFRLFNDGLGFRYEFPQQKSLNYFVIKEEHSQFGMNGDHIAFWIPGD
YDTQEYDYTISRLSEIRGLMKEAITPNSSQTPFSQTGVQTALMMKTDDGL
YINLHEAALVDYSCMHLNLDDKNMVFESWLTPDAKGDKGYMQTPCNTPWR
TIIVSDDARNILASRITLNLNEPCKIADAASWVKPVKYIGVWWDMITGKG
SWAYTDELTSVKLGETDYSKTKPNGKHSANTANVKRYIDFAAAHGFDAVL
VEGWNEGWEDWFGNSKDYVFDFVTPYPDFDVKEIHRYAARKGIKMMMHHE
TSASVRNYERHMDKAYQFMADNGYNSVKSGYVGNIIPRGEHHYGQWMNNH
YLYAVKKAADYKIMVNAHEATRPTGICRTYPNLIGNESARGTEYESFGGN
KVYHTTILPFTRLVGGPMDYTPGIFETHCNKMNPANNSQVRSTIARQLAL
YVTMYSPLQMAADIPENYERFMDAFQFIKDVALDWDETNYLEAEPGEYIT
IARKAKDTDDWYVGCTAGENGHTSKLVFDFLTPGKQYIATVYADAKDADW
KENPQAYTIKKGILTNKSKLNLHAANGGGYAISIKEV
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 chain2jka Chain B Residue 1727 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2jka Divergence of Catalytic Mechanism within a Glycosidase Family Provides Insight Into Evolution of Carbohydrate Metabolism by Human Gut Flora.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		E194 E508 E526 E532
Binding residue
(residue number reindexed from 1)		E155 E469 E487 E493
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.3: glucan 1,4-alpha-glucosidase.
Gene Ontology
Molecular Function
GO:0004339 glucan 1,4-alpha-glucosidase activity
GO:0004558 alpha-1,4-glucosidase activity
GO:0005509 calcium ion binding
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0005983 starch catabolic process
Cellular Component
GO:0005886 plasma membrane
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2jka, PDBe:2jka, PDBj:2jka
PDBsum2jka
PubMed18848471
UniProtG8JZS4|SUSB_BACTN Glucan 1,4-alpha-glucosidase SusB (Gene Name=susB)

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