Structure of PDB 2w5f Chain B Binding Site BS01

Receptor Information
>2w5f Chain B (length=513) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADYEVVHDTFEVNFDGWCNLGVDTYLTAVENEGNNGTRGMMVINRSSASD
GAYSEKGFYLDGGVEYKYSVFVKHNGTGTETFKLSVSYLDSETEEENKEV
IATKDVVAGEWTEISAKYKAPKTAVNITLSITTDSTVDFIFDDVTITRKG
YAANAVLKDMYANYFRVGSVLNSGTVNNSSIKALILREFNSITCENEMKP
DATLVQSGSTNTNIRVSLNRAASILNFCAQNNIAVRGHTLVWHSQTPQWF
FKDNFQDNGNWVSQSVMDQRLESYIKNMFAEIQRQYPSLNLYAYDVVNAA
VSDDANRTRYYGGAREPGYGNGRSPWVQIYGDNKFIEKAFTYARKYAPAN
CKLYYNDYNEYWDHKRDCIASICANLYNKGLLDGVGMQSHINADMNGFSG
IQNYKAALQKYINIGCDVQITELDISTENGKFSLQQQADKYKAVFQAAVD
INRTSSKGKVTAVCVWGPNDANTWLGSQNAPLLFNANNQPKPAYNAVASI
IPQSEWGDGNNPA
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 chain2w5f Chain D Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2w5f Putting an N-Terminal End to the Clostridium Thermocellum Xylanase Xyn10B Story: Crystal Structure of the Cbm22-1-Gh10 Modules Complexed with Xylohexaose.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		K237 H276 W280 N336 Q426 E460 W504 W512
Binding residue
(residue number reindexed from 1)		K199 H238 W242 N298 Q388 E422 W466 W474
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) A337 N394 H428 E460 D462
Catalytic site (residue number reindexed from 1) A299 N356 H390 E422 D424
Enzyme Commision number 3.2.1.8: endo-1,4-beta-xylanase.
Gene Ontology
Molecular Function
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016798 hydrolase activity, acting on glycosyl bonds
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2w5f, PDBe:2w5f, PDBj:2w5f
PDBsum2w5f
PubMed20682344
UniProtP51584|XYNY_ACETH Endo-1,4-beta-xylanase Y (Gene Name=xynY)

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