Structure of PDB 7o0e Chain G Binding Site BS01

Receptor Information
>7o0e Chain G (length=452) Species: 573729 (Thermothelomyces thermophilus ATCC 42464) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AGTTLTVDLSTTYQRIDGFGTSEAFQRAVQMSRLPEEGQRRALDVLFSTT
NGAGLSILRNGIGSSPDMSSDHMVSIAPKSPGSPNNPLIYSWDGSDNKQL
WVSQEAVHTYGVKTIYADAWSAPGYMKTNGNDANGGTLCGLSGAQCASGD
WRQAYADYLTKYVEFYQESNVTVTHLGFINAPELTTSYASMRFSASQAAE
FIRILYPTIQKSNLTYKPTIACCDAEGWNSQAGMLGALSSVNSMFGLVTA
HAYTSQPGFSMNTPHPVWMTEAADLQGAWTSAWYSYGGAGEGWTWANNVY
NAIVNGNASAYLYWIGAQTGNTNSHMVHIDANAGTVEPSKRLWALGQWSR
FVRPGARRVAVSGASGSLRTAAFRNEDGSVAVVVINSGGDAAVNVRLASS
SSADQQPASAKAWATDNSRAIEEIQASFADGVATVNVPSRSMTTVVLYPA
AD
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 chain7o0e Chain E 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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PDB7o0e Unique features of the bifunctional GH30 from Thermothelomyces thermophila revealed by structural and mutational studies
Resolution1.85 Å
Binding residue
(original residue number in PDB)		W127 N187 Y195 E233 E278 W321
Binding residue
(residue number reindexed from 1)		W120 N180 Y188 E226 E271 W314
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.1.-
Gene Ontology
Molecular Function
GO:0004348 glucosylceramidase activity
GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
GO:0016787 hydrolase activity
Biological Process
GO:0006665 sphingolipid metabolic process
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7o0e, PDBe:7o0e, PDBj:7o0e
PDBsum7o0e
PubMed
UniProtG2Q1N4|XY30A_THET4 GH30 family xylanase (Gene Name=Xyn30A)

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