Structure of PDB 6jeq Chain A Binding Site BS05

Receptor Information
>6jeq Chain A (length=651) Species: 343517 (Paenibacillus barengoltzii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QKEFHGTIDYGDVTVTGGISVFDAKFDELYVYDGDDLGAVYAPEETRFRL
WAPTASEAFVVLYETEDGMPVKELPMKRDVQGTWTLTVAEDCGGLFYTYR
VKVGEQWNEAVDPYAKAVGVNGTKTAILDLRSTNPEGWENDQKPPLASPT
DAVIYELHVRDLSIHPQSGIREKGKFLGLTEEGTRGPNGIPTGLDHITGL
GVTHVQLLPIYDYSQESVDESRLDEPHYNWGYDPQNYNVPEGSYSTDPHN
PAARILELKRLIQKLHARGLRVIMDVVYNHVYDGYLIHFTKLVPGYYLRY
KADRTFSDGTFCGNECASERPIMRKYIIESILHWVREYHIDGFRFDLMGM
IDIETMNEIRRRLDEIDPTILTIGEGWMMETVLPKELRANQDNAEKLPGI
GMFNDGMRDAVKGDIFIFDRKGFISGGDGFEDGVKRGVAGGINYGGQLRQ
FAVEPVQSVNYVECHDNHTLWDKIELSTPGASDEERRAMHRLASAIVLTS
QGIPFLHAGQEFMRTKGGVENSYKSPIEVNWLDWERCAAHQDDVSYMRSL
IALRKAHPAFRLKTADEIRAHLRFEAAPPHTVAFTLRDHAGGDPDRHLYV
LYNANPGALSLELPALGPWEVRFGGEHVLALEAGARLEVRGVGVVVLAVP
R
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 chain6jeq Chain A Residue 730 [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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PDB6jeq Structural basis of carbohydrate binding in domain C of a type I pullulanase from Paenibacillus barengoltzii.
Resolution1.802 Å
Binding residue
(original residue number in PDB)		D216 Y217 E224 E245
Binding residue
(residue number reindexed from 1)		D212 Y213 E220 E241
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:6jeq, PDBe:6jeq, PDBj:6jeq
PDBsum6jeq
PubMed32355041
UniProtA0A0C5GWS2

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