Structure of PDB 8d3m Chain I Binding Site BS03

Receptor Information
>8d3m Chain I (length=218) Species: 272558 (Halalkalibacterium halodurans C-125) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASNEEDRYLMLSGLQHFQFCKRQWALIHIEQQWEENVRTIEGQHLHKKAD
QPFMKEKRGSKLTVRAMPIQSKNLQISGICDVVEFVQDSEGIELSGVSGS
YKAFPVEYKRGKPKKGDEDIVQLVAQAMCLEEMLVCRIDKGYLFYNEIKH
RVEVPITDALRDKVVQMAKEMHHYYENRHTPKVKTGPFCNNCSLQSICLP
KLMNKRSVKRYIEGRLSE
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 chain8d3m Chain I Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8d3m PAM binding ensures orientational integration during Cas4-Cas1-Cas2-mediated CRISPR adaptation.
Resolution3.41 Å
Binding residue
(original residue number in PDB)		C21 R23 Q24 F189 C190 C193 C199 P201
Binding residue
(residue number reindexed from 1)		C20 R22 Q23 F188 C189 C192 C198 P200
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.12.1: 5' to 3' exodeoxyribonuclease (nucleoside 3'-phosphate-forming).
Gene Ontology
Molecular Function
GO:0004527 exonuclease activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
Biological Process
GO:0051607 defense response to virus

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:8d3m, PDBe:8d3m, PDBj:8d3m
PDBsum8d3m
PubMed36272411
UniProtA0A4Y7WTW2

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