Structure of PDB 3kl5 Chain A Binding Site BS01

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 1 [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)		W85 E140 W147 Y204 E229 W268
Binding residue
(residue number reindexed from 1)		W83 E138 W145 Y202 E227 W266
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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