Structure of PDB 2wze Chain B Binding Site BS03

Receptor Information
>2wze Chain B (length=516) Species: 1515 (Acetivibrio thermocellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDYEVVHDTFEVNFDGWCNLGVDTYLTAVENEGNNGTRGMMVINRSSASD
GAYSEKGFYLDGGVEYKYSVFVKHNGTGTETFKLSVSYLDSETEEENKEV
IATKDVVAGEWTEISAKYKAPKTAVNITLSITTDSTVDFIFDDVTITRKG
NTVYAANAVLKDMYANYFRVGSVLNSGTVNNSSIKALILREFNSITCENE
MKPDATLVQSGSTNTNIRVSLNRAASILNFCAQNNIAVRGHTLVWHSQTP
QWFFKDNFQDNGNWVSQSVMDQRLESYIKNMFAEIQRQYPSLNLYAYDVV
NAAVSDDANRTRYYGGAREPGYGNGRSPWVQIYGDNKFIEKAFTYARKYA
PANCKLYYNDYNEYWDHKRDCIASICANLYNKGLLDGVGMQSHINADMNG
FSGIQNYKAALQKYINIGCDVQITELDISTENGKFSLQQQADKYKAVFQA
AVDINRTSSKGKVTAVCVWGPNDANTWLGSQNAPLLFNANNQPKPAYNAV
ASIIPQSEWGDGNNPA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain2wze Chain B Residue 1552 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wze Putting an N-Terminal End to the Clostridium Thermocellum Xylanase Xyn10B Story: Crystal Structure of the Cbm22-1-Gh10 Modules Complexed with Xylohexaose.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		T40 E42 T68 R69 D173
Binding residue
(residue number reindexed from 1)		T9 E11 T37 R38 D142
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) A337 N394 H428 E460 D462
Catalytic site (residue number reindexed from 1) A302 N359 H393 E425 D427
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

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Molecular Function
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Biological Process
External links
PDB RCSB:2wze, PDBe:2wze, PDBj:2wze
PDBsum2wze
PubMed20682344
UniProtP51584|XYNY_ACETH Endo-1,4-beta-xylanase Y (Gene Name=xynY)

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