Structure of PDB 1jdd Chain A Binding Site BS04

Receptor Information
>1jdd Chain A (length=418) Species: 316 (Stutzerimonas stutzeri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DQAGKSPNAVRYHGGDEIILQGFHWNVVREAPNDWYNILRQQAATIAADG
FSAIWMPVPWRDFSSWSDGSKSGGGEGYFWHDFNKNGRYGSDAQLRQAAS
ALGGAGVKVLYDVVPNHMNRGYPDKEINLPAGQGFWRNDCADPGNYPNDC
DDGDRFIGGDADLNTGHPQVYGMFRDEFTNLRSQYGAGGFRFDFVRGYAP
ERVNSWMTDSADNSFCVGQLWKGPSEYPNWDWRNTASWQQIIKDWSDRAK
CPVFDFALKERMQNGSIADWKHGLNGNPDPRWREVAVTFVDNHDTGYSPG
QNGGQHHWALQDGLIRQAYAYILTSPGTPVVYWDHMYDWGYGDFIRQLIQ
VRRAAGVRADSAISFHSGYSGLVATVSGSQQTLVVALNSDLGNPGQVASG
SFSEAVNASNGQVRVWRS
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 chain1jdd Chain B Residue 4 [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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PDB1jdd Crystal structures of a mutant maltotetraose-forming exo-amylase cocrystallized with maltopentaose.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		F79 G158 D160 A161
Binding residue
(residue number reindexed from 1)		F79 G158 D160 A161
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D193 Q219 D294
Catalytic site (residue number reindexed from 1) D193 Q219 D294
Enzyme Commision number 3.2.1.60: glucan 1,4-alpha-maltotetraohydrolase.
Gene Ontology
Molecular Function
GO:0004556 alpha-amylase activity
GO:0043169 cation binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1jdd, PDBe:1jdd, PDBj:1jdd
PDBsum1jdd
PubMed9281429
UniProtP13507|AMT4_STUST Glucan 1,4-alpha-maltotetraohydrolase (Gene Name=amyP)

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