Structure of PDB 2vrq Chain A Binding Site BS02

Receptor Information
>2vrq Chain A (length=493) Species: 76633 (Thermobacillus xylanilyticus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASRVVVNADRVKGTINRNIYGHFSEHLGRCIYEGLWVGEDSPIPNTNGIR
NDVLEALKQMKIPVLRWPGGCFADEYHWKDGVGPREKRKRMVNTHWGGVI
ENNHFGTHEFMMLCELLGCEPYISGNVGSGTVQEMSEWVEYITFDGESPM
ANWRRENGREKPWRIKYWGVGNQNWGCGGNMRAEYYADLYRQFQTYLRNY
GDNKLHKIACGANTADYHWTEVLMKQAAPFMHGLSLHYYTVPGPWEKKGP
ATGFTTDEWWVTLKKALFMDRLVTKHSAIMDVYDPDKRIDLIVDEWGTWY
DVEPGTNPGFLYQQNSIRDALVAGATLHIFHRHCDRVRMANIAQLVNVLQ
SVILTEGERMLLTPTYHVFNMFKVHQDAELLDTWESVERTGPEGELPKVS
VSASRAADGKIHISLCNLDFETGASVDIELRGLNGGVSATGTTLTSGRID
GHNTFDEPERVKPAPFRDFKLEGGHLNASLPPMSVTVLELTAG
Ligand information
Ligand IDAHR
InChIInChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4+,5+/m0/s1
InChIKeyHMFHBZSHGGEWLO-QMKXCQHVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@H]1[C@@H]([C@H]([C@@H](O1)O)O)O)O
OpenEye OEToolkits 1.5.0C(C1C(C(C(O1)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@@H]1O[C@@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04OC1C(OC(O)C1O)CO
FormulaC5 H10 O5
Namealpha-L-arabinofuranose;
alpha-L-arabinose;
L-arabinose;
arabinose
ChEMBL
DrugBankDB03142
ZINCZINC000002569310
PDB chain2vrq Chain D Residue 3 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vrq The Structure of the Complex between a Branched Pentasaccharide and Thermobacillus Xylanilyticus Gh-51 Arabinofuranosidase Reveals Xylan-Binding Determinants and Induced Fit.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E28 G73 C74 W99 Q176 Y242 E298 Q347 L352
Binding residue
(residue number reindexed from 1)		E25 G70 C71 W96 Q173 Y239 E295 Q344 L349
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Q176 E298
Catalytic site (residue number reindexed from 1) Q173 E295
Enzyme Commision number 3.2.1.55: non-reducing end alpha-L-arabinofuranosidase.
Gene Ontology
Molecular Function
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0046556 alpha-L-arabinofuranosidase activity
Biological Process
GO:0000272 polysaccharide catabolic process
GO:0046373 L-arabinose metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2vrq, PDBe:2vrq, PDBj:2vrq
PDBsum2vrq
PubMed18563919
UniProtO69262

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