Structure of PDB 1wd4 Chain A Binding Site BS01

Receptor Information
>1wd4 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
VDMENNLFSGADEGYNSGDPSISYRFVTAAVKGGADKWAIRGANAASGSL
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 chain1wd4 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wd4 Crystal structure of a family 54 alpha-L-arabinofuranosidase reveals a novel carbohydrate-binding module that can bind arabinose
Resolution2.07 Å
Binding residue
(original residue number in PDB)		M195 D219 E221 N222 N223 G295 G296 D297
Binding residue
(residue number reindexed from 1)		M178 D202 E204 N205 N206 G278 G279 D280
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:1wd4, PDBe:1wd4, PDBj:1wd4
PDBsum1wd4
PubMed15292273
UniProtQ8NK89|ABFB_ASPKW Alpha-L-arabinofuranosidase B (Gene Name=abfB)

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