Structure of PDB 2y8n Chain D Binding Site BS01

Receptor Information
>2y8n Chain D (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 chain2y8n Chain D Residue 87 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2y8n Structural Basis for a Kolbe-Type Decarboxylation Catalyzed by a Glycyl Radical Enzyme.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		H3 C6 N8 C19 A35 C36 F39
Binding residue
(residue number reindexed from 1)		H3 C6 N8 C19 A35 C36 F39
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:2y8n, PDBe:2y8n, PDBj:2y8n
PDBsum2y8n
PubMed21823587
UniProtQ38HX3|HPDS_CLOSL 4-hydroxyphenylacetate decarboxylase small subunit (Gene Name=csdC)

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