Structure of PDB 7kdy Chain B Binding Site BS01

Receptor Information
>7kdy Chain B (length=664) Species: 2689386 (Streptomyces tokunonensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRKVYFVGLNEYPFLPLVAGLLRTYAEQDERIAAAYDFQEPVFLVAPVQE
MADGIVEPDVLALSCYVWNFRRQMKVAKLVKERYPNVLVVAGGPHVPDRP
GNFFEKHPYVDVLAHGEGEVAFRELLATRLSDHPDYTAVPGVSVRRGTEA
VVGPKAKRLPRLIDTPSPYLLGVMDGAVATCRERGLRFYALWETNRGCPY
SCSFCDWGSATMSTLRKFEDERLQDEIEWFARHDVEDLFICDANFGIMPR
DLEIAHALAEARGELGAPRQVRVNFAKNSNDRVFDISKTWHDADLLMGTT
LSMQSTDMDVLEAIDRKNIGLDNYRKLQQRYAAENIHTYTELILGLPMET
ARSFRDGIGSLLEAGNHEDLRVYELGILPNAPLNTPEKIEQYGLRTVPKR
MYVERPGTPDDEAETFEMVMETNAMPRDAWVESFSFIQAVQFLHNGCYTR
YLSIFLRQEHGIGYTRFYEGLQDYFTGRPDTVLGALYLRMRSLYHDYIDM
PALPLANLVASQPDMAADLAPYGRRRGWTIDNWGWLRIATDFDRFHTELR
EYLATLGLDPAGDARLEDVLRFQQDVMLRPDYSPELGKSAEYAHDWPGYF
AGGLLRPRRVRVAYGDQSFGANGRYRPVPGDLKAFTMAAIGTSYPVSRMG
HFCHRFESAEVTSL
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 chain7kdy Chain B Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7kdy Structure of a B 12 -dependent radical SAM enzyme in carbapenem biosynthesis.
Resolution1.939 Å
Binding residue
(original residue number in PDB)		C206 Y208 C210 F212 C213 W215 K285 R324
Binding residue
(residue number reindexed from 1)		C198 Y200 C202 F204 C205 W207 K277 R316
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:7kdy, PDBe:7kdy, PDBj:7kdy
PDBsum7kdy
PubMed35110734
UniProtA0A6B9HEI0

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