Structure of PDB 6xoj Chain A Binding Site BS03

Receptor Information
>6xoj 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 IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain6xoj Chain A Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xoj Biochemical and crystallographic investigations into isonitrile formation by a nonheme iron-dependent oxidase/decarboxylase.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		H132 D134 H295
Binding residue
(residue number reindexed from 1)		H105 D107 H268
Annotation score1
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:6xoj, PDBe:6xoj, PDBj:6xoj
PDBsum6xoj
PubMed33361191
UniProtA0A3B6UEU3|INLPE_STRC4 (3R)-3-[(carboxymethyl)amino]fatty acid oxygenase/decarboxylase (Gene Name=ScoE)

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