Structure of PDB 6jhh Chain A Binding Site BS01

Receptor Information
>6jhh Chain A (length=642) Species: 343517 (Paenibacillus barengoltzii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YGDVTVTGGISVFDAKFDELYVYDGDDLGAVYAPEETRFRLWAPTASEAF
VVLYETEDGMPVKELPMKRDVQGTWTLTVAEDCGGLFYTYRVKVGEQWNE
AVDPYAKAVGVNGTKTAILDLRSTNPEGWENDQKPPLASPTDAVIYELHV
RDLSIHPQSGIREKGKFLGLTEEGTRGPNGIPTGLDHITGLGVTHVQLLP
IYDYSQESVDESRLDEPHYNWGYDPQNYNVPEGSYSTDPHNPAARILELK
RLIQKLHARGLRVIMDVVYNHVYDGYLIHFTKLVPGYYLRYKADRTFSDG
TFCGNECASERPIMRKYIIESILHWVREYHIDGFRFALMGMIDIETMNEI
RRRLDEIDPTILTIGEGWMMETVLPKELRANQDNAEKLPGIGMFNDGMRD
AVKGDIFIFDRKGFISGGDGFEDGVKRGVAGGINYGGQLRQFAVEPVQSV
NYVECHDNHTLWDKIELSTPGASDEERRAMHRLASAIVLTSQGIPFLHAG
QEFMRTKGGVENSYKSPIEVNWLDWERCAAHQDDVSYMRSLIALRKAHPA
FRLKTADEIRAHLRFEAAPPHTVAFTLRDHAGGDPDRHLYVLYNANPGAL
SLELPALGPWEVRFGGEHVLALEAGARLEVRGVGVVVLAVPR
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 chain6jhh 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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PDB6jhh Crystal structure of mutant D350A of Pullulanase from Paenibacillus barengoltzii complexed with maltotriose
Resolution2.025 Å
Binding residue
(original residue number in PDB)		W234 Y236 C316 R348 A350 E379 H469 D470
Binding residue
(residue number reindexed from 1)		W221 Y223 C303 R335 A337 E366 H456 D457
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:6jhh, PDBe:6jhh, PDBj:6jhh
PDBsum6jhh
PubMed
UniProtA0A0C5GWS2

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