Structure of PDB 4ic1 Chain K Binding Site BS02

Receptor Information
>4ic1 Chain K (length=202) Species: 273057 (Saccharolobus solfataricus P2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YFQGMITEFLLKKKLEEHLSHVKEENTIYVTDLVRCPRRVRYESEYKELA
ISQVYAPSAILGDILHLGLESVLKGNFNAETEVETLREINVGGKVYKIKG
RADAIIRKSIVIEIKTSRSDKGLPLIHHKMQLQIYLWLFSAEKGILVYIT
PDRIAEYEINEPLDEATIVRLAEDTIMLQNSPRFNWECKYCIFSVICPAK
LT
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 chain4ic1 Chain K Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ic1 Toroidal structure and DNA cleavage by the CRISPR-associated [4Fe-4S] cluster containing Cas4 nuclease SSO0001 from Sulfolobus solfataricus.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		C32 P182 C188 C191 C197 K200
Binding residue
(residue number reindexed from 1)		C36 P182 C188 C191 C197 K200
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.12.1: 5' to 3' exodeoxyribonuclease (nucleoside 3'-phosphate-forming).
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004527 exonuclease activity
GO:0030145 manganese ion binding
GO:0045145 single-stranded DNA 5'-3' DNA exonuclease activity
GO:0046872 metal ion binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006308 DNA catabolic process
GO:0032508 DNA duplex unwinding
GO:0051607 defense response to virus

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Molecular Function
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Biological Process
External links
PDB RCSB:4ic1, PDBe:4ic1, PDBj:4ic1
PDBsum4ic1
PubMed24171432
UniProtQ97TX9|CAS4_SACS2 CRISPR-associated exonuclease Cas4 (Gene Name=cas4)

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