Structure of PDB 4k39 Chain B Binding Site BS03

Receptor Information
>4k39 Chain B (length=359) Species: 195103 (Clostridium perfringens ATCC 13124) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPLSLLIKPASSGCNLKCTYCFYHSYGIMRDEVLESMVKRVLNEANGHCS
FAFQGGEPTLAGLEFFEKLMELQRKHNYKNLKIYNSLQTNGTLIDESWAK
FLSENKFLVGLSMDGPKEIHNLNRKDCCGLDTFSKVERAAELFKKYKVEF
NILCVVTSNTARHVNKVYKYFKEKDFKFLQFINCLDPLYEEKGKYNYSLK
PKDYTKFLKNLFDFWYEDFLNGNRVSIRYFDGLLETILLGKSSSCGMNGT
CTCQFVVESDGSVYPCDFYVLDKWRLGNIQDMTMKELFETNKNHEFIKLS
FKVHEECKKCKWFRLCKGGCRRCRDSKEDSALELNYYCQSYKEFFEYAFP
RLINVANNI
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 chain4k39 Chain B Residue 502 [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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PDB4k39 X-ray structure of an AdoMet radical activase reveals an anaerobic solution for formylglycine posttranslational modification.
Resolution1.783 Å
Binding residue
(original residue number in PDB)		E316 C317 C320 C326 C348 K352
Binding residue
(residue number reindexed from 1)		E306 C307 C310 C316 C338 K342
Annotation score1
Enzymatic activity
Enzyme Commision number 1.8.98.7: cysteine-type anaerobic sulfatase-maturating enzyme.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:4k39, PDBe:4k39, PDBj:4k39
PDBsum4k39
PubMed23650368
UniProtQ0TTH1|ANSME_CLOP1 Cysteine-type anaerobic sulfatase-maturating enzyme (Gene Name=CPF_0616)

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