Structure of PDB 2zq0 Chain A Binding Site BS03

Receptor Information
>2zq0 Chain A (length=704) Species: 818 (Bacteroides thetaiotaomicron) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQQKLTSPDNNLVMTFQVDSKGAPTYELTYKNKVVIKPSTLGLELKKEDN
KLDSKTNLYDGFEVKDTQTATFDETWQPVWGEEKEIRNHYNELAVTLYQP
MNDRSIVIRFRLFNDGLGFRYEFPQQKSLNYFVIKEEHSQFGMNGDHIAF
WIPGDYDTQEYDYTISRLSEIRGLMKEAITPNSSQTPFSQTGVQTALMMK
TDDGLYINLHEAALVDYSCMHLNLDDKNMVFESWLTPDAKGDKGYMQTPC
NTPWRTIIVSDDARNILASRITLNLNEPCKIADAASWVKPVKYIGVWWDM
ITGKGSWAYTDELTSVKLGETDYSKTKPNGKHSANTANVKRYIDFAAAHG
FDAVLVEGWNEGWEDWFGNSKDYVFDFVTPYPDFDVKEIHRYAARKGIKM
MMHHETSASVRNYERHMDKAYQFMADNGYNSVKSGYVGNIIPRGEHHYGQ
WMNNHYLYAVKKAADYKIMVNAHEATRPTGICRTYPNLIGNESARGTEYE
SFGGNKVYHTTILPFTRLVGGPMDYTPGIFETHCNKMNPANNSQVRSTIA
RQLALYVTMYSPLQMAADIPENYERFMDAFQFIKDVALDWDETNYLEAEP
GEYITIARKAKDTDDWYVGCTAGENGHTSKLVFDFLTPGKQYIATVYADA
KDADWKENPQAYTIKKGILTNKSKLNLHAANGGGYAISIKEVKDKSEAKG
LKRL
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 chain2zq0 Chain A Residue 901 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2zq0 Structural and functional analysis of a glycoside hydrolase family 97 enzyme from Bacteroides thetaiotaomicron.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		E194 E508 E526 E532
Binding residue
(residue number reindexed from 1)		E160 E474 E492 E498
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

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2zq0, PDBe:2zq0, PDBj:2zq0
PDBsum2zq0
PubMed18981178
UniProtG8JZS4|SUSB_BACTN Glucan 1,4-alpha-glucosidase SusB (Gene Name=susB)

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