Structure of PDB 2ypj Chain A Binding Site BS02
Receptor Information
>2ypj Chain A (length=122) Species:
29322
([Eubacterium] cellulosolvens) [
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EIILFSGSNHADFKAWGGDDWPSAFEISPKYEPMKLDLNKNFEIKVDYNG
ADIVLIFARWDKDIWAQISPYYVVDGTAVFTKEQIAKAYGSDDFSGLDYI
AVKPLPSEEGVTVTKVSGIYTN
Ligand information
Ligand ID
XYS
InChI
InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1
InChIKey
SRBFZHDQGSBBOR-LECHCGJUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341
O[CH]1CO[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0
C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
CACTVS 3.341
O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04
OC1C(O)COC(O)C1O
Formula
C5 H10 O5
Name
alpha-D-xylopyranose;
alpha-D-xylose;
D-xylose;
xylose;
XYLOPYRANOSE
ChEMBL
DrugBank
DB03389
ZINC
ZINC000001529214
PDB chain
2ypj Chain B Residue 7 [
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Receptor-Ligand Complex Structure
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PDB
2ypj
Understanding How Non-Catalytic Carbohydrate Binding Modules Can Display Specificity for Xyloglucan
Resolution
2.35 Å
Binding residue
(original residue number in PDB)
W607 Y685 K689
Binding residue
(residue number reindexed from 1)
W21 Y99 K103
Annotation score
4
Enzymatic activity
Enzyme Commision number
3.2.1.4
: cellulase.
External links
PDB
RCSB:2ypj
,
PDBe:2ypj
,
PDBj:2ypj
PDBsum
2ypj
PubMed
23229556
UniProt
Q3LHN3
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