Structure of PDB 5ubj Chain A Binding Site BS02

Receptor Information
>5ubj Chain A (length=303) Species: 227321 (Aspergillus nidulans FGSC A4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QCGLPSTYSWTSTGPLAEPKDGWASLKDFTAVPYNGQYLVYATYHDTGTS
WGSMNFGLFSNWSDMATASQNAMTQSTVAPTLFYFEPKDVWILAYQWGPT
AFSYLTSSDPTDANGWSSPQPLFSGSISDSDTGVIDQTVIGDSTTMYLFF
AGDNGRIYRASMPIDQFPGDFGTESEIILSDERNNLFEAVQVYTVSGQSK
DTYLMIVEAIGAQGRYFRSFTADSLGGSWTPQAATESAPFAGKANSGATW
TDDISHGDLVRSTPDQTMSIDPCNLQLLYQGRDPSLNPGYDLLPYRPGLL
TLK
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5ubj Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ubj Structural and functional characterization of a highly secreted alpha-l-arabinofuranosidase (GH62) from Aspergillus nidulans grown on sugarcane bagasse.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		E108 D111
Binding residue
(residue number reindexed from 1)		E86 D89
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.55: non-reducing end alpha-L-arabinofuranosidase.
Gene Ontology
Molecular Function
GO:0046556 alpha-L-arabinofuranosidase activity
Biological Process
GO:0046373 L-arabinose metabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5ubj, PDBe:5ubj, PDBj:5ubj
PDBsum5ubj
PubMed28890404
UniProtQ5AUX2|AXHA2_EMENI Alpha-L-arabinofuranosidase axhA-2 (Gene Name=axhA-2)

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