Structure of PDB 2gf3 Chain B Binding Site BS01

Receptor Information
>2gf3 Chain B (length=385) Species: 1409 (Bacillus sp. (in: firmicutes)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STHFDVIVVGAGSMGMAAGYQLAKQGVKTLLVDAFDPPHTNGSHHGDTRI
IRHAYGEGREYVPLALRSQELWYELEKETHHKIFTKTGVLVFGPKGESAF
VAETMEAAKEHSLTVDLLEGDEINKRWPGITVPENYNAIFEPNSGVLFSE
NCIRAYRELAEARGAKVLTHTRVEDFDISPDSVKIETANGSYTADKLIVS
MGAWNSKLLSKLNLDIPLQPYRQVVGFFESDESKYSNDIDFPGFMVEVPN
GIYYGFPSFGGCGLKLGYHTFGQKIDPDTINREFGVYPEDESNLRAFLEE
YMPGANGELKRGAVCMYTKTLDEHFIIDLHPEHSNVVIAAGFSGHGFKFS
SGVGEVLSQLALTGKTEHDISIFSINRPALKESLQ
Ligand information
Ligand IDFOA
InChIInChI=1S/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
InChIKeySMNDYUVBFMFKNZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)c1occc1
OpenEye OEToolkits 1.5.0c1cc(oc1)C(=O)O
CACTVS 3.341OC(=O)c1occc1
FormulaC5 H4 O3
Name2-FUROIC ACID
ChEMBLCHEMBL1232797
DrugBank
ZINCZINC000000158555
PDB chain2gf3 Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2gf3 Monomeric Sarcosine Oxidase: Structure of a Covalently Flavinylated Amine Oxidizing Enzyme
Resolution1.3 Å
Binding residue
(original residue number in PDB)		P217 Q219 Y221 K319 T320 L321
Binding residue
(residue number reindexed from 1)		P217 Q219 Y221 K319 T320 L321
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H45 T48 R49 R52 S98 Y254 K265 H269 C315 H345 K348
Catalytic site (residue number reindexed from 1) H45 T48 R49 R52 S98 Y254 K265 H269 C315 H345 K348
Enzyme Commision number 1.5.3.1: sarcosine oxidasee (formaldehyde-forming).
Gene Ontology
Molecular Function
GO:0008115 sarcosine oxidase activity
GO:0016491 oxidoreductase activity
GO:0050660 flavin adenine dinucleotide binding
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links
PDB RCSB:2gf3, PDBe:2gf3, PDBj:2gf3
PDBsum2gf3
PubMed
UniProtP40859|MSOX_BACB0 Monomeric sarcosine oxidase (Gene Name=soxA)

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