Structure of PDB 7kdx Chain A Binding Site BS01

Receptor Information
>7kdx Chain A (length=658) Species: 2689386 (Streptomyces tokunonensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRKVYFVGLNEYPFLPLVAGLLRTYAEQDERIAAAYDFQEPVFLVAPVQE
MADGIVEPDVLALSCYVWNFRRQMKVAKLVKERYPNVLVVAGGPHVPDRP
GNFFEKHPYVDVLAHGEGEVAFRELLATRLSDYTAVPGVSVRRGTEAVVG
PKAKRLPRLIDTPSPYLLGVMDGAVATCRERGLRFYALWETNRGCPYSCS
FCDWGSATMSTLRKFEDERLQDEIEWFARHDVEDLFICDANFGIMPRDLE
IAHALAEARGELGAPRQVRVNFAKNSNDRVFDISKTWHDADLLMGTTLSM
QSTDMDVLEAIDRKNIGLDNYRKLQQRYAAENIHTYTELILGLPMETARS
FRDGIGSLLEAGNHEDLRVYELGILPNAPLNTPEKIEQYGLRTVPKRMYV
ETPDDEAETFEMVMETNAMPRDAWVESFSFIQAVQFLHNGCYTRYLSIFL
RQEHGIGYTRFYEGLQDYFTGRPDTVLGALYLRMRSLYHDYIDMPALPLA
NLVASQPDMAADLAPYGRRRGWTIDNWGWLRIATDFDRFHTELREYLATL
GLDPAGDARLEDVLRFQQDVMLRPDYSPELGKSAEYAHDWPGYFAGGLLR
PRRVRVAYGDQSFGANGRYRPVPGDLKAFTMAAIGTSYPVSRMGHFCHRF
ESAEVTSL
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 chain7kdx Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7kdx Structure of a B 12 -dependent radical SAM enzyme in carbapenem biosynthesis.
Resolution1.791 Å
Binding residue
(original residue number in PDB)		C206 Y208 C210 F212 C213 W215 R324
Binding residue
(residue number reindexed from 1)		C195 Y197 C199 F201 C202 W204 R313
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008168 methyltransferase activity
GO:0031419 cobalamin binding
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0032259 methylation
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7kdx, PDBe:7kdx, PDBj:7kdx
PDBsum7kdx
PubMed35110734
UniProtA0A6B9HEI0

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