Structure of PDB 3kl5 Chain A Binding Site BS02

Receptor Information
>3kl5 Chain A (length=389) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SDVTVNVSAEKQVIRGFGGMNHPAWAGDLTAAQRETAFGNGQNQLGFSIL
RIHVDENRNNWYKEVETAKSAVKHGAIVFASPWNPPSDMVETFNRNGDTS
AKRLKYNKYAAYAQHLNDFVTFMKNNGVNLYAISVQNEPDYAHEWTWWTP
QEILRFMRENAGSINARVIAPESFQYLKNLSDPILNDPQALANMDILGTH
LYGTQVSQFPYPLFKQKGAGKDLWMTEVYYPNSDTNSADRWPEALDVSQH
IHNAMVEGDFQAYVWWYIRRSYGPMKEDGTISKRGYNMAHFSKFVRPGYV
RIDATKNPNANVYVSAYKGDNKVVIVAINKSNTGVNQNFVLQNGSASNVS
RWITSSSSNLQPGTNLTVSGNHFWAHLPAQSVTTFVVNR
Ligand information
Ligand IDXYP
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
InChIKeySRBFZHDQGSBBOR-KKQCNMDGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namebeta-D-xylopyranose;
beta-D-xylose;
D-xylose;
xylose
ChEMBL
DrugBank
ZINCZINC000001529215
PDB chain3kl5 Chain E Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3kl5 Ligand bound structures of a glycosyl hydrolase family 30 glucuronoxylan xylanohydrolase.
Resolution2.59 Å
Binding residue
(original residue number in PDB)		W27 Y269
Binding residue
(residue number reindexed from 1)		W25 Y267
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.136: glucuronoarabinoxylan endo-1,4-beta-xylanase.
Gene Ontology
Molecular Function
GO:0004348 glucosylceramidase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0033940 glucuronoarabinoxylan endo-1,4-beta-xylanase activity
Biological Process
GO:0006665 sphingolipid metabolic process
GO:0045493 xylan catabolic 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:3kl5, PDBe:3kl5, PDBj:3kl5
PDBsum3kl5
PubMed21256135
UniProtQ45070|XYNC_BACSU Glucuronoxylanase XynC (Gene Name=xynC)

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