Structure of PDB 4k36 Chain B Binding Site BS01

Receptor Information
>4k36 Chain B (length=364) Species: 195103 (Clostridium perfringens ATCC 13124) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPLSLLIKPASSGCNLKCTYCFYHSLVKSYGIMRDEVLESMVKRVLNEAN
GHCSFAFQGGEPTLAGLEFFEKLMELQRKHNYKNLKIYNSLQTNGTLIDE
SWAKFLSENKFLVGLSMDGPKEIHNLNRKDCCGLDTFSKVERAAELFKKY
KVEFNILCVVTSNTARHVNKVYKYFKEKDFKFLQFINCLDPLYEEKGKYN
YSLKPKDYTKFLKNLFDFWYEDFLNGNRVSIRYFDGLLETILLGKSSSCG
MNGTCTCQFVVESDGSVYPCDFYVLDKWRLGNIQDMTMKELFETNKNHEF
IKLSFKVHEECKKCKWFRLCKGGCRRCRDSKEDSALELNYYCQSYKEFFE
YAFPRLINVANNIH
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 chain4k36 Chain B Residue 501 [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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PDB4k36 X-ray structure of an AdoMet radical activase reveals an anaerobic solution for formylglycine posttranslational modification.
Resolution1.619 Å
Binding residue
(original residue number in PDB)		C255 G256 C261 T262 Q264 C276 F278 C330 R331 R332
Binding residue
(residue number reindexed from 1)		C249 G250 C255 T256 Q258 C270 F272 C324 R325 R326
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:4k36, PDBe:4k36, PDBj:4k36
PDBsum4k36
PubMed23650368
UniProtQ0TTH1|ANSME_CLOP1 Cysteine-type anaerobic sulfatase-maturating enzyme (Gene Name=CPF_0616)

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