Structure of PDB 6sxt Chain A Binding Site BS01

Receptor Information
>6sxt Chain A (length=482) Species: 1033177 (Aspergillus luchuensis IFO 4308) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMGPCDIYEAGDTPCVAAHSTTRALYSSFSGALYQLQRGSDDTTTTISPL
TAGGIADASAQDTFCANTTCLITIIYDQSGNGNHLTQAPPGGFDGPDTDG
YDNLASAIGAPVTLNGQKAYGVFMSPGTGYRNNEATGTATGDEAEGMYAV
LDGTHYNDACCFDYGNAETSSTDTGAGHMEAIYLGNSTTWGYGAGDGPWI
MVDMENNLFSGADEGYNSGDPSISYRFVTAAVKGGADKWAIRGANAASGS
LSTYYSGARPDYSGYNPMSKEGAIILGIGGDNSNGAQGTFYEGVMTSGYP
SDDTENSVQENIVAAKYVVGSLVSGPSFTSGEVVSLRVTTPGYTTRYIAH
TDTTVNTQVVDDDSSTTLKEEASWTVVTGLANSQCFSFESVDTPGSYIRH
YNFELLLNANDGTKQFHEDATFCPQAALNGEGTSLRSWSYPTRYFRHYEN
VLYAASNGGVQTFDSKTSFNNDVSFEIETAFA
Ligand information
Ligand IDLXE
InChIInChI=1S/C6H13NO3/c7-4-1-5(9)6(10)3(4)2-8/h3-6,8-10H,1-2,7H2/p+1/t3-,4+,5+,6+/m1/s1
InChIKeyXJKPQBOZNVQXOP-VANKVMQKSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1C(C(C(C1O)O)CO)[NH3+]
CACTVS 3.385[NH3+][CH]1C[CH](O)[CH](O)[CH]1CO
OpenEye OEToolkits 2.0.7C1[C@@H]([C@H]([C@@H]([C@H]1O)O)CO)[NH3+]
CACTVS 3.385[NH3+][C@H]1C[C@H](O)[C@@H](O)[C@@H]1CO
FormulaC6 H14 N O3
Name[(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium
ChEMBL
DrugBank
ZINC
PDB chain6sxt Chain A Residue 507 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6sxt Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
Resolution1.466 Å
Binding residue
(original residue number in PDB)		C176 M195 D219 E221 N222 G296 D297
Binding residue
(residue number reindexed from 1)		C160 M179 D203 E205 N206 G280 D281
Annotation score1
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:6sxt, PDBe:6sxt, PDBj:6sxt
PDBsum6sxt
PubMed32053363
UniProtQ8NK89|ABFB_ASPKW Alpha-L-arabinofuranosidase B (Gene Name=abfB)

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