Structure of PDB 4ysh Chain B Binding Site BS01

Receptor Information
>4ysh Chain B (length=368) Species: 235909 (Geobacillus kaustophilus HTA426) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
THRYDVAIVGGGVIGAAIGFELAKRRHRVAIFEKGTMGSGASSAAAGMLG
AQSEFSTSSPLVPLALQSRALMPALAEELRERTGIDIGLVEKGLIKLATT
EEEADDLYRHYTFWRGIGEPVQWLTKGEALEMEPRLAEALAGAMYIPGDG
QVSAPDLAAALAYAAASAGACLYEYTEVFDIRSDSSGHVLDTTGGTFAAE
AVVIASGAWAARLGARVGLSLSVYPVKGECVMVRAPVPLLQTTVFAKNGC
YIVPKSGNRLLIGATSTPGTFDRRVSAGGVMNLLHRAAHLVPDIEQAEWV
ASWSGIRPQTEDGLPYLGEHPERRGLFVAAGHYRNGILLSPLTGLLVADL
VERKETAFDLAPFSLTRH
Ligand information
Ligand IDGLY
InChIInChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
InChIKeyDHMQDGOQFOQNFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(=O)O)N
CACTVS 3.341NCC(O)=O
ACDLabs 10.04O=C(O)CN
FormulaC2 H5 N O2
NameGLYCINE
ChEMBLCHEMBL773
DrugBankDB00145
ZINCZINC000004658552
PDB chain4ysh Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ysh Crystal structure of glycine oxidase from Geobacillus kaustophilus
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G251 Y253 A266 R336
Binding residue
(residue number reindexed from 1)		G249 Y251 A264 R334
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) A46 M49 L50 Q53 I264 L285 G307 N337 L340
Catalytic site (residue number reindexed from 1) A45 M48 L49 Q52 I262 L283 G305 N335 L338
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:0051289 protein homotetramerization
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:4ysh, PDBe:4ysh, PDBj:4ysh
PDBsum4ysh
PubMed
UniProtQ5L2C2|GLYOX_GEOKA Glycine oxidase (Gene Name=thiO)

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