Structure of PDB 5ul4 Chain A Binding Site BS01

Receptor Information
>5ul4 Chain A (length=729) Species: 1404 (Priestia megaterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LSTKSIEYYLKELKEIFSQIWLKPSEIEKRCEELFKRSKEFDYKRILVSG
ETDNTTLYVIEDSSKIHVFSPNRDLRENPLLMRWHPSWYEIESKEIYYKC
FLSCEELYEHLELPTVTLVNLCVIENFPIPRLNLSTGTLSSYLRKEQLAK
VELIDMQVGTTINQIIKNLLDSQPDIIGLSVNFGQKKLAFEILDLIYSHI
ENGDLSSIITVGNVIPSFSPEQFFERYPSLLICDKEGEYTLRDLIKMLKK
ELKLDEVNGISYVDESGEVKHNVAETVNFKEEVPTPSLDILGEISKFRGA
LTLETSRGCDYSRCTFCPRDHKLRSWRPLSVEQTLKQLDDILRAGKHFNI
KPHIYMADEEFIGELPNGTEAQRIIDICEGLLKREEKIKFDFAARADSVY
EPKRTKEWNVERLKMWHYCALAGADRIFIGVESGSNQQLKRYGKGTTSEQ
NIIALRLVSALGINLRIGFIMFDQLMKGLDNLKENLDFLERTDALMKPID
IGDMTYEELYDKLLNDKEFIEKHKTGKPVYTIVSYMLASMEILMNTPYSR
MVQLTERKEEVNLIMNDGKPDMNMGRYATSFVDKTNGNLSEACQMWIDSN
FGVMYTIKSLHKVANPREKKKLYSYMETHREISHFLLKYLVYNLSPDKES
QIILSDFLRMHSMEHILDNVGDGSKENILNVMTNWQLIMEKLLRDVEADL
NKGIITDSEDHRLHNTLKRWFSDMGNWSL
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 chain5ul4 Chain A Residue 801 [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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PDB5ul4 A B12-dependent radical SAM enzyme involved in oxetanocin A biosynthesis.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		C313 S316 C318 C321 R399
Binding residue
(residue number reindexed from 1)		C309 S312 C314 C317 R395
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0031419 cobalamin binding
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:5ul4, PDBe:5ul4, PDBj:5ul4
PDBsum5ul4
PubMed28346939
UniProtO24770

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