Structure of PDB 3if9 Chain B Binding Site BS01

Receptor Information
>3if9 Chain B (length=363) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKRHYEAVVIGGGIIGSAIAYYLAKENKNTALFESGTMGGRTTSAAAGML
SAHREEERDAFFDFAMHSQRLYKGLGEELYALSGVDIRQHNGGMFKLAFS
EEDVLQLRQMDDLDSVSWYSKEEVLEKEPYASGDIFGASFIQDDVHVEPY
FVCKAYVKAAKMLGAEIFEHTPVLHVERDGEALFIKTPSGDVWANHVVVA
SGVWSGMFFKQLGLNNAFLPVKGECLSVWNDDIPLTKTLYHDACYIVPRK
SGRLVVGATMKPGDWSETPDLGGLESVMKKAKTMLPAIQNMKVDRFWAGL
RPGTKDGKPYIGRHPEDSRILFAAGHFRNGILLAPATGALISDLIMNKEV
NQDWLHAFRIDRK
Ligand information
Ligand IDGOA
InChIInChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
InChIKeyAEMRFAOFKBGASW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)CO
OpenEye OEToolkits 1.7.0C(C(=O)O)O
CACTVS 3.370OCC(O)=O
FormulaC2 H4 O3
NameGLYCOLIC ACID;
HYDROXYACETIC ACID;
HYDROXYETHANOIC ACID
ChEMBLCHEMBL252557
DrugBankDB03085
ZINCZINC000004658557
PDB chain3if9 Chain B Residue 370 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3if9 Glyphosate resistance by engineering the flavoenzyme glycine oxidase.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		Y246 R302 R329
Binding residue
(residue number reindexed from 1)		Y245 R301 R328
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) A47 G48 M49
Catalytic site (residue number reindexed from 1) A47 G48 M49
Enzyme Commision number 1.4.3.19: glycine oxidase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0043799 glycine oxidase activity
GO:0050660 flavin adenine dinucleotide binding
GO:0071949 FAD binding
Biological Process
GO:0006520 amino acid metabolic process
GO:0009228 thiamine biosynthetic process
GO:0009229 thiamine diphosphate biosynthetic process
GO:0009635 response to herbicide
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3if9, PDBe:3if9, PDBj:3if9
PDBsum3if9
PubMed19864430
UniProtO31616|GLYOX_BACSU Glycine oxidase (Gene Name=thiO)

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