Structure of PDB 6jhi Chain A Binding Site BS07

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 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 chain6jhi Chain A Residue 708 [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)		R364 D368 P372
Binding residue
(residue number reindexed from 1)		R356 D360 P364
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
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Biological Process
External links
PDB RCSB:6jhi, PDBe:6jhi, PDBj:6jhi
PDBsum6jhi
PubMed
UniProtA0A0C5GWS2

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