Structure of PDB 8xxa Chain A Binding Site BS08

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 IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain8xxa Chain A Residue 1001 [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)		N498 H525 D532 G567
Binding residue
(residue number reindexed from 1)		N232 H259 D266 G301
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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