Structure of PDB 8xxa Chain A Binding Site BS03

Receptor Information
>8xxa Chain A (length=620) Species: 1295135 (Rhodothermus marinus JCM 9785) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IEDGINYDPNDPTRVTLSLYAPGKSFVYVIGDFTNWEVDPAYFMYRDAPR
PDSVHWWITIEGLTPGQEYAFQYFIDGELRLADLFAHKVLDPWHDPFIPS
STYPNLKPYPTGKTEGIVAVLQPGAPQYQWQVTDFERPPAHELVIYELLI
RDFVARHDYVTLIDTLDYLERLGVNAIELMPVAEFDGNISWGYNPAFHLA
LDKYYGPADDLKRFVDECHRRGIAVILDVVYNHATGNSPLVQLYGPTADN
PFINIPARHPFNVFYDLNHEHPYIQYWLDRANRYWLEEFRVDGFRFALSK
GFTQKYTDDDVGAWSAYDASRIRLLKRMADAIWAVDSTAYIILEHFADNQ
EEKELAAYGQDRGRAGMLLWHNLNRAFSQSVMGYLNDPNFSSDLTTIYYK
NRGFPTPNLIAYMESHDEQWLMYRMRAYGARQGAYDVRSLPVALDRMKLA
GAFFFTVPGPKMIWQFGELGYGYGERGEQCLEGTGDSCPSIAPGRIDPKP
IRWDYRNDPLRMKLYRTWAELLRLRREHAVFRSPETQVRMRLQHGVPGRW
ISLTHPELSVVVVGNFGLEPLVVTPTFPQTGTWYDYFNGDSLVVDDPNTG
IELLPGEFRLYTNRYVGQAE
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 chain8xxa Chain B 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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PDB8xxa Structural basis for the recognition of alpha-1,6-branched alpha-glucan by GH13_47 alpha-amylase from Rhodothermus marinus
Resolution1.55 Å
Binding residue
(original residue number in PDB)		S456 W457 Y459 N460 F530 I762
Binding residue
(residue number reindexed from 1)		S190 W191 Y193 N194 F264 I496
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.1: alpha-amylase.
Gene Ontology
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Biological Process
External links
PDB RCSB:8xxa, PDBe:8xxa, PDBj:8xxa
PDBsum8xxa
PubMed38641972
UniProtD0MDJ8

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