Structure of PDB 6fd2 Chain B Binding Site BS02

Receptor Information
>6fd2 Chain B (length=453) Species: 1933 (Streptoalloteichus tenebrarius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLGTVLLVSPKTSFGRDLQRTYAGGLGTVCKDEDFLLPPLDLMRLAGVLR
EDADDIAIADEEVTGVVPSVEPGTTVICHVSLPSLLEDAERLATFRAQGA
RCYAYTSIRSPAQWRTLFERGGCEGVLLPESISFARAALAGDHTVPGLVT
PDSLLDPRHHQPAFGDLAAEPLPARDLVDHTPYMFPPIARTGITSINGSF
GCPYPCRFYCPYPLSEGRKIRTYPVERIVAEFRQCAELGITAAVFRDPVF
SFHRDRTLELCQALKAADTGVPWWCETRIDRLDEEVVAALVDAGCVGVEV
GVESGDPDMQATAVRKRLNLDTVRKFHAVARKAGLKLVFLFLIGLPRETR
MSIRRTFDFILELGLADTEFNLSVITPYPGTELHQIAVDKGWIDGSQNAF
TSHNAVMHTDELSIGDLERASRFVDELHAVCKAGPAERAEFQARVHAWST
GDA
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 chain6fd2 Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6fd2 1,2-Diol Dehydration by the Radical SAM Enzyme AprD4: A Matter of Proton Circulation and Substrate Flexibility.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		C206 Y208 C210 C214 P217 R282 K320
Binding residue
(residue number reindexed from 1)		C202 Y204 C206 C210 P213 R278 K316
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:6fd2, PDBe:6fd2, PDBj:6fd2
PDBsum6fd2
PubMed29300094
UniProtQ2MFI7

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