Structure of PDB 5afe Chain A Binding Site BS02

Receptor Information
>5afe Chain A (length=124) Species: 29322 ([Eubacterium] cellulosolvens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEIILFSGSNHADFKAWGGDDWPSAFEISPKYEPMKLDLNKNFEIKVDYN
GADIVLIFARWDKDIWAQISPYYVVDGTAVFTKEQIAKAYGSDDFSGLDY
IAVKPLPSEEGVTVTKVSGIYTNG
Ligand information
Ligand IDXYS
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1
InChIKeySRBFZHDQGSBBOR-LECHCGJUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namealpha-D-xylopyranose;
alpha-D-xylose;
D-xylose;
xylose;
XYLOPYRANOSE
ChEMBL
DrugBankDB03389
ZINCZINC000001529214
PDB chain5afe Chain B Residue 7 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5afe Overproduction, Purification, Crystallization and Preliminary X-Ray Characterization of the C-Terminal Family 65 Carbohydrate-Binding Module (Cbm65B) of Endoglucanase Cel5A from Eubacterium Cellulosolvens.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		D606 W607 W651 Y685 K689
Binding residue
(residue number reindexed from 1)		D21 W22 W66 Y100 K104
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.4: cellulase.
External links