Structure of PDB 1ur1 Chain A Binding Site BS01

Receptor Information
>1ur1 Chain A (length=346) Species: 39650 (Cellvibrio mixtus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLKSAYKDNFLIGAALNATIASGADERLNTLIAKEFNSITPENCMKWGVL
RDAQGQWNWKDADAFVAFGTKHNLHMVGHTLVWHSQIHDEVFKNADGSYI
SKAALQKKMEEHITTLAGRYKGKLAAWDVVNEAVGDDLKMRDSHWYKIMG
DDFIYNAFTLANEVDPKAHLMYNDYNIERTGKREATVEMIERLQKRGMPI
HGLGIQGHLGIDTPPIAEIEKSIIAFAKLGLRVHFTSLDVDVLPSVWEEV
STRFEYKPERDPYTKGLPQEMQDKLAKRYEDLFKLFIKHSDKIDRATFWG
VSDDASWLNGFPIPGRTNYPLLFDRKLQPKDAYFRLLDLKRLEHHH
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 chain1ur1 Chain B 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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PDB1ur1 The Mechanisms by which Family 10 Glycoside Hydrolases Bind Decorated Substrates
Resolution1.43 Å
Binding residue
(original residue number in PDB)		K71 H104 Q231 H233 S262 W328 W336
Binding residue
(residue number reindexed from 1)		K46 H79 Q206 H208 S237 W299 W307
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E157 N198 H233 S262 D264
Catalytic site (residue number reindexed from 1) E132 N173 H208 S237 D239
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
GO:0031176 endo-1,4-beta-xylanase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0045493 xylan catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1ur1, PDBe:1ur1, PDBj:1ur1
PDBsum1ur1
PubMed14668328
UniProtO68541

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