Structure of PDB 6jhi Chain A Binding Site BS01

Receptor Information
>6jhi Chain A (length=646) Species: 343517 (Paenibacillus barengoltzii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HGTIDYGDVTVTGGISVFDAKFDELYVYDGDDLGAVYAPEETRFRLWAPT
ASEAFVVLYETEDGMPVKELPMKRDVQGTWTLTVAEDCGGLFYTYRVKVG
EQWNEAVDPYAKAVGVNGTKTAILDLRSTNPEGWENDQKPPLASPTDAVI
YELHVRDLSIHPQSGIREKGKFLGLTEEGTRGPNGIPTGLDHITGLGVTH
VQLLPIYDYSQESVDESRLDEPHYNWGYDPQNYNVPEGSYSTDPHNPAAR
ILELKRLIQKLHARGLRVIMDVVYNHVYDGYLIHFTKLVPGYYLRYKADR
TFSDGTFCGNECASERPIMRKYIIESILHWVREYHIDGFRFDLMGMIDIE
TMNEIRRRLDEIDPTILTIGEGWMMETVLPKELRANQDNAEKLPGIGMFN
DGMRDAVKGDIFIFDRKGFISGGDGFEDGVKRGVAGGINYGGQLRQFAVE
PVQSVNYVECHANHTLWDKIELSTPGASDEERRAMHRLASAIVLTSQGIP
FLHAGQEFMRTKGGVENSYKSPIEVNWLDWERCAAHQDDVSYMRSLIALR
KAHPAFRLKTADEIRAHLRFEAAPPHTVAFTLRDHAGGDPDRHLYVLYNA
NPGALSLELPALGPWEVRFGGEHVLALEAARLEVRGVGVVVLAVPR
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 chain6jhi Chain B Residue 1 [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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PDB6jhi Crystal structure of mutant D470A of Pullulanase from Paenibacillus barengoltzii complexed with maltotetraose
Resolution2.319 Å
Binding residue
(original residue number in PDB)		D409 R412
Binding residue
(residue number reindexed from 1)		D401 R404
Annotation score4
Enzymatic activity
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:0046872 metal ion binding
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:6jhi, PDBe:6jhi, PDBj:6jhi
PDBsum6jhi
PubMed
UniProtA0A0C5GWS2

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