Structure of PDB 7o0e Chain G Binding Site BS04

Receptor Information

>7o0e Chain G (length=452) Species: 573729 (Thermothelomyces thermophilus ATCC 42464)

AGTTLTVDLSTTYQRIDGFGTSEAFQRAVQMSRLPEEGQRRALDVLFSTT
NGAGLSILRNGIGSSPDMSSDHMVSIAPKSPGSPNNPLIYSWDGSDNKQL
WVSQEAVHTYGVKTIYADAWSAPGYMKTNGNDANGGTLCGLSGAQCASGD
WRQAYADYLTKYVEFYQESNVTVTHLGFINAPELTTSYASMRFSASQAAE
FIRILYPTIQKSNLTYKPTIACCDAEGWNSQAGMLGALSSVNSMFGLVTA
HAYTSQPGFSMNTPHPVWMTEAADLQGAWTSAWYSYGGAGEGWTWANNVY
NAIVNGNASAYLYWIGAQTGNTNSHMVHIDANAGTVEPSKRLWALGQWSR
FVRPGARRVAVSGASGSLRTAAFRNEDGSVAVVVINSGGDAAVNVRLASS
SSADQQPASAKAWATDNSRAIEEIQASFADGVATVNVPSRSMTTVVLYPA
AD

Ligand information

• Ligand ID: GLY
• InChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
• InChIKey: DHMQDGOQFOQNFH-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C(=O)O)N
  CACTVS 3.341: NCC(O)=O
  ACDLabs 10.04: O=C(O)CN
• Formula: C2 H5 N O2
• Name: GLYCINE
• ChEMBL: CHEMBL773
• DrugBank: DB00145
• ZINC: ZINC000004658552
• PDB chain: 7o0e Chain G Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7o0e Unique features of the bifunctional GH30 from Thermothelomyces thermophila revealed by structural and mutational studies
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): Q33 Q37 R40
• Binding residue (residue number reindexed from 1): Q26 Q30 R33
• Annotation score: 1

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

External links

• PDB: RCSB:7o0e, PDBe:7o0e, PDBj:7o0e
• PDBsum: 7o0e
• UniProt: G2Q1N4|XY30A_THET4 GH30 family xylanase (Gene Name=Xyn30A)