Structure of PDB 4k37 Chain B Binding Site BS02

Receptor Information
>4k37 Chain B (length=367) Species: 195103 (Clostridium perfringens ATCC 13124) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLSLLIKPASSGCNLKCTYCFYHSLSDNRNVKSYGIMRDEVLESMVKRVL
NEANGHCSFAFQGGEPTLAGLEFFEKLMELQRKHNYKNLKIYNSLQTNGT
LIDESWAKFLSENKFLVGLSMDGPKEIHNLNRKDCCGLDTFSKVERAAEL
FKKYKVEFNILCVVTSNTARHVNKVYKYFKEKDFKFLQFINCLDPLYEEK
GKYNYSLKPKDYTKFLKNLFDFWYEDFLNGNRVSIRYFDGLLETILLGKS
SSCGMNGTCTCQFVVESDGSVYPCDFYVLDKWRLGNIQDMTMKELFETNK
NHEFIKLSFKVHEECKKCKWFRLCKGGCRRCRDSKEDSALELNYYCQSYK
EFFEYAFPRLINVANNI
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 chain4k37 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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PDB4k37 X-ray structure of an AdoMet radical activase reveals an anaerobic solution for formylglycine posttranslational modification.
Resolution1.62 Å
Binding residue
(original residue number in PDB)		E316 C317 C320 F323 C326 G328 C348 K352
Binding residue
(residue number reindexed from 1)		E314 C315 C318 F321 C324 G326 C346 K350
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:4k37, PDBe:4k37, PDBj:4k37
PDBsum4k37
PubMed23650368
UniProtQ0TTH1|ANSME_CLOP1 Cysteine-type anaerobic sulfatase-maturating enzyme (Gene Name=CPF_0616)

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