Structure of PDB 6jfj Chain A Binding Site BS03

Receptor Information
>6jfj 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
PVQSVNYVECHDNHTLWDKIELSTPGASDEERRAMHRLASAIVLTSQGIP
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 chain6jfj Chain C Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6jfj Structural basis of carbohydrate binding in domain C of a type I pullulanase from Paenibacillus barengoltzii.
Resolution1.932 Å
Binding residue
(original residue number in PDB)		W234 D350 E379 H469 D470
Binding residue
(residue number reindexed from 1)		W226 D342 E371 H461 D462
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:6jfj, PDBe:6jfj, PDBj:6jfj
PDBsum6jfj
PubMed32355041
UniProtA0A0C5GWS2

[Back to BioLiP]