Structure of PDB 2yaj Chain B Binding Site BS02

Receptor Information
>2yaj Chain B (length=86) Species: 1548 (Clostridium scatologenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRHYDCKNYINLDCEKGLCALTKGMVPIDGEGSEACPNFKPAEKCGNCKN
FCNPDKYGLGTCTGLEKENWAYATCGASACPSYKAE
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain2yaj Chain B Residue 88 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2yaj Structural Basis for a Kolbe-Type Decarboxylation Catalyzed by a Glycyl Radical Enzyme.
Resolution1.813 Å
Binding residue
(original residue number in PDB)		C45 C48 N50 F51 C62 C80 S82 Y83
Binding residue
(residue number reindexed from 1)		C45 C48 N50 F51 C62 C80 S82 Y83
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.83: 4-hydroxyphenylacetate decarboxylase.
Gene Ontology
Molecular Function
GO:0016829 lyase activity
GO:0043722 4-hydroxyphenylacetate decarboxylase activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:2yaj, PDBe:2yaj, PDBj:2yaj
PDBsum2yaj
PubMed21823587
UniProtQ38HX3|HPDS_CLOSL 4-hydroxyphenylacetate decarboxylase small subunit (Gene Name=csdC)

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