Structure of PDB 2zq0 Chain A Binding Site BS01

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 IDGLC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain2zq0 Chain C Residue 2 [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)		P215 F401 Y533
Binding residue
(residue number reindexed from 1)		P181 F367 Y499
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:2zq0, PDBe:2zq0, PDBj:2zq0
PDBsum2zq0
PubMed18981178
UniProtG8JZS4|SUSB_BACTN Glucan 1,4-alpha-glucosidase SusB (Gene Name=susB)

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