Structure of PDB 2e9b Chain A Binding Site BS03

Receptor Information
>2e9b Chain A (length=712) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVSIRRSFEAYVDDMNIITVLIPAEQKEIMTPPFRLETEITDFPLAVREE
YSLEAKYKYVCVSDHPVTFGKIHCVRASSGHKTDLQIGAVIRTAAFDDEF
YYDGELGAVYTADHTVFKVWAPAATSAAVKLSHPNKSGRTFQMTRLEKGV
YAVTVTGDLHGYEYLFCICNNSEWMETVDQYAKAVTVNGEKGVVLRPDQM
KWTAPLKPFSHPVDAVIYETHLRDFSIHENSGMINKGKYLALTETDTQTA
NGSSSGLAYVKELGVTHVELLPVNDFAGVDEEKPLDAYNWGYNPLHFFAP
EGSYASNPHDPQTRKTELKQMINTLHQHGLRVILDVVFNHVYKRENSPFE
KTVPGYFFRHDECGKPSNGTGVGNDIASERRMARKFIADCVVYWLEEYNV
DGFRFDLLGILDIDTVLYMKEKATKAKPGILLFGEGWDLATPLPHEQKAA
LANAPRMPGIGFFNDMFRDAVKGNTFHLKATGFALGNGESAQAVMHGIAG
SSGWKALAPIVPEPSQSINYVESHDNHTFWDKMSFALPQENDSRKRSRQR
LAVAIILLAQGVPFIHSGQEFFRTKQGVENSYQSSDSINQLDWDRRETFK
EDVHYIRRLISLRKAHPAFRLRSAADIQRHLECLTLKEHLIAYRLYDLDE
VDEWKDIIVIHHASPDSVEWRLPNDIPYRLLCDPSGFQEDPTEIKKTVAV
NGIGTVILYLAS
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 chain2e9b Chain D Residue 2 [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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PDB2e9b Overexpression, purification and preliminary X-ray analysis of pullulanase from Bacillus subtilis strain 168
Resolution2.3 Å
Binding residue
(original residue number in PDB)		P197 Q199 W202 K319 E397
Binding residue
(residue number reindexed from 1)		P197 Q199 W202 K319 E397
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) N188 D275 F276 E301 D406 E435 D525
Catalytic site (residue number reindexed from 1) N188 D275 F276 E301 D406 E435 D525
Enzyme Commision number 3.2.1.41: pullulanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0051060 pullulanase activity
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2e9b, PDBe:2e9b, PDBj:2e9b
PDBsum2e9b
PubMed
UniProtC0SPA0|PULA_BACSU Pullulanase (Gene Name=amyX)

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