Structure of PDB 6xo3 Chain A Binding Site BS01

Receptor Information
>6xo3 Chain A (length=296) Species: 116188 (Streptomyces coeruleorubidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EGRMQIDEQPGNAIGAAVEGFDHATASDADIDALKSTIYTKKIAVLKGQD
LSPQQFLALGKRLGRPEAYYEPMYQHPEVTEIFVSSNVPENGKQIGVPKT
GKFWHADYQFMPDPFGITLIYPQVIPEKNRGTYFIDMGRAYDRLPEDLKK
EISGTYCRHSVRKYFKIRPHDVYRPISEIIEEVERKTPAVVQPTTFTHPM
TGETVLYISEGFTVGIEDQDGKPLDEELLKRLFDATGQLDESFEHDNIHL
QSFEQGDLLVWDNRSLIHRARHTTTPEPTVSYRVTVHDERKLHDGI
Ligand information
Ligand IDAKG
InChIInChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
InChIKeyKPGXRSRHYNQIFN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=O)CCC(=O)O
OpenEye OEToolkits 1.7.6C(CC(=O)O)C(=O)C(=O)O
CACTVS 3.385OC(=O)CCC(=O)C(O)=O
FormulaC5 H6 O5
Name2-OXOGLUTARIC ACID
ChEMBLCHEMBL1686
DrugBankDB08845
ZINCZINC000001532519
PDB chain6xo3 Chain A Residue 401 [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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PDB6xo3 Biochemical and crystallographic investigations into isonitrile formation by a nonheme iron-dependent oxidase/decarboxylase.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		T127 G128 F130 H132 H295
Binding residue
(residue number reindexed from 1)		T100 G101 F103 H105 H268
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H132 D134 H295 R310
Catalytic site (residue number reindexed from 1) H105 D107 H268 R283
Enzyme Commision number 1.14.11.78: (R)-3-[(carboxymethyl)amino]fatty acid dioxygenase/decarboxylase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:6xo3, PDBe:6xo3, PDBj:6xo3
PDBsum6xo3
PubMed33361191
UniProtA0A3B6UEU3|INLPE_STRC4 (3R)-3-[(carboxymethyl)amino]fatty acid oxygenase/decarboxylase (Gene Name=ScoE)

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