Structure of PDB 2d44 Chain A Binding Site BS04

Receptor Information
>2d44 Chain A (length=482) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGPCDIYEAGDTPCVAAHSTTRALYSSFSGALYQLQRGSDDTTTTISPLT
AGGIADASAQDTFCANTTCLITIIYDQSGNGNHLTQAPPGGFDGPDTDGY
DNLASAIGAPVTLNGQKAYGVFMSPGTGYRNNEATGTATGDEAEGMYAVL
DGTHYNDACCFDYGNAETSSTDTGAGHMEAIYLGNSTTWGYGAGDGPWIM
VDMANNLFSGADEGYNSGDPSISYRFVTAAVKGGADKWAIRGANAASGSL
STYYSGARPDYSGYNPMSKEGAIILGIGGDNSNGAQGTFYEGVMTSGYPS
DDTENSVQENIVAAKYVVGSLVSGPSFTSGEVVSLRVTTPGYTTRYIAHT
DTTVNTQVVDDDSSTTLKEEASWTVVTGLANSQCFSFESVDTPGSYIRHY
NFELLLNANDGTKQFHEDATFCPQAALNGEGTSLRSWSYPTRYFRHYENV
LYAASNGGVQTFDSKTSFNNDVSFEIETAFAS
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 chain2d44 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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PDB2d44 The family 42 carbohydrate-binding module of family 54 alpha-L-arabinofuranosidase specifically binds the arabinofuranose side chain of hemicellulose
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Y359 H463 Y464 E465 N466 D488
Binding residue
(residue number reindexed from 1)		Y342 H446 Y447 E448 N449 D471
Annotation score4
Enzymatic activity
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:0019566 arabinose metabolic process
GO:0031221 arabinan metabolic process
GO:0031222 arabinan catabolic process
GO:0045490 pectin catabolic process
GO:0045493 xylan catabolic process
GO:0046373 L-arabinose metabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2d44, PDBe:2d44, PDBj:2d44
PDBsum2d44
PubMed16846393
UniProtQ8NK89|ABFB_ASPKW Alpha-L-arabinofuranosidase B (Gene Name=abfB)

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