Structure of PDB 2z8g Chain A Binding Site BS03

Receptor Information
>2z8g Chain A (length=549) Species: 5061 (Aspergillus niger) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REFMAVTANNSQLLTWWHNTGEINTQTPVADGNVRQSGLYSVKVQTTPAS
SSLYYDSFVYLAIPGNGMSDQLQYTQGYNQTQAWTSFLYSHDATVKISRN
GSSANSNVVIRPTSLNFPVRYDNQSVYITVPYSPTGYRFSVEFDDDLISL
APSGARQPENALLIFASPFENSSTKPQPGSPNSIAPAPGRVLGLNTTSAS
TVVFNPGVYYFTGHDHMVLSSSVTWVYFAPGAYVKGAVEFLSTASEVKAS
GHGVLSGEQYVWYADPDEGYQKASGANNNGLRMWRGTLGNSSQTFVLNGV
TVSAPPFNSMDWSGNSLDLITCRVDDYKQVGAFYGQTDGLEMYPGTILQD
VFYHTDDDGLKMYYSNVTARNIVMWKESVAPVVEFGWTPRNTENVLFDNV
DVIHQAYANAGNNPGIFGAVNNYLYAPDGLSSNHSTGNSNMTVRNITWSN
FRAEGSSSALFRINPIQNLDNISIKNVSIESFEPLSINTTESWMPVWYDL
NNGKQITVTDFSIEGFTVGNTTITASNAASVGRIDGVDPAYAGSVHYID
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 chain2z8g Chain C Residue 3 [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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PDB2z8g Crystal Structure of Aspergillus niger Isopullulanase, a Member of Glycoside Hydrolase Family 49
Resolution1.7 Å
Binding residue
(original residue number in PDB)		D372 W402 N428 D443
Binding residue
(residue number reindexed from 1)		D357 W387 N413 D428
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D353 D372
Catalytic site (residue number reindexed from 1) D338 D357
Enzyme Commision number 3.2.1.57: isopullulanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0051675 isopullulanase activity
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:2z8g, PDBe:2z8g, PDBj:2z8g
PDBsum2z8g
PubMed18155243
UniProtO00105|IPUA_ASPNG Isopullulanase (Gene Name=ipuA)

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