Structure of PDB 7mi4 Chain D Binding Site BS03

Receptor Information

>7mi4 Chain D (length=340) Species: 243231 (Geobacter sulfurreducens PCA)

GRGLPLYVQSPKAYVRKDGDCLVIEEERVRVAEARLGETSQVALFGNATL
TTAALHECLRREIPVTWLSYGGWFMGHTVSTGHRNVETRTYQYQRSFDPE
TCLNLARRWIVAKIANCRTLLRRNWRGEGDEAKAPPGLLMSLQDDMRHAM
RAPSLEVLLGIEGASAGRYFQHFSRMLRGGDGEGMGFDFTTRNRRPPKDP
VNALLSFAYAMLTREWTVALAAVGLDPYRGFYHQPRFGRPALALDMMEPF
RPLIADSTVLMAINNGEIRTGDFVRSAGGCNLTDSARKRFIAGFERRMEQ
EVTHPIFKYTISYRRLLEVQARLLTRYLSGEIPAYPNFVT

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: 7mi4 Chain D Residue 701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7mi4 Mechanism for Cas4-assisted directional spacer acquisition in CRISPR-Cas.
• Resolution: 3.2 Å
• Binding residue (original residue number in PDB): E380 H451 E466
• Binding residue (residue number reindexed from 1): E162 H233 E248
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.1.-.-
  3.1.12.1: 5' to 3' exodeoxyribonuclease (nucleoside 3'-phosphate-forming).

Gene Ontology

Molecular Function

• GO:0003676 nucleic acid binding
• GO:0003677 DNA binding
• GO:0004519 endonuclease activity
• GO:0004527 exonuclease activity
• GO:0046872 metal ion binding
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:0043571 maintenance of CRISPR repeat elements
• GO:0051607 defense response to virus

External links

• PDB: RCSB:7mi4, PDBe:7mi4, PDBj:7mi4
• PDBsum: 7mi4
• PubMed: 34588691
• UniProt: Q74H36|CS4F1_GEOSL CRISPR-associated exonuclease Cas4/endonuclease Cas1 fusion (Gene Name=cas4-cas1)