Structure of PDB 4ic1 Chain F Binding Site BS01

Receptor Information

>4ic1 Chain F (length=203) Species: 273057 (Saccharolobus solfataricus P2)

YFQGMITEFLLKKKLEEHLSHVKEENTIYVTDLVRCPRRVRYESEYKELA
ISQVYAPSAILGDILHLGLESVLKGNFNAETEVETLREINVGGKVYKIKG
RADAIIRNKSIVIEIKTSRSDKGLPLIHHKMQLQIYLWLFSAEKGILVYI
TPDRIAEYEINEPLDEATIVRLAEDTIMLQNSPRFNWECKYCIFSVICPA
KLT

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 4ic1 Chain F Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ic1 Toroidal structure and DNA cleavage by the CRISPR-associated [4Fe-4S] cluster containing Cas4 nuclease SSO0001 from Sulfolobus solfataricus.
• Resolution: 2.35 Å
• Binding residue (original residue number in PDB): H62 D99 E113 I114 K115
• Binding residue (residue number reindexed from 1): H66 D103 E114 I115 K116
• Annotation score: 4

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

External links

• PDB: RCSB:4ic1, PDBe:4ic1, PDBj:4ic1
• PDBsum: 4ic1
• PubMed: 24171432
• UniProt: Q97TX9|CAS4_SACS2 CRISPR-associated exonuclease Cas4 (Gene Name=cas4)