Structure of PDB 5ds5 Chain B Binding Site BS02

Receptor Information

>5ds5 Chain B (length=277) Species: 83333 (Escherichia coli K-12)

LPLNPIPLKDRVSMIFLQYGQIDVIDGAFVLIDKTGIRTHIPVGSVACIM
LEPGTRVSHAAVRLAAQVGTLLVWVGEAGVRVYASGQPGGARSDKLLYQA
KLALDEDLRLKVVRKMFELRFGEPAPARRSVEQLRGIEGSRVRATYALLA
KQYGVTWNGRRYDPKDWEKGDTINQCISAATSCLYGVTEAAILAAGYAPA
IGFVHTGKPLSFVYDIADIIKFDTVVPKAFEIARRNPGEPDREVRLACRD
IFRSSKTLAKLIPLIEDVLAAGEIQPP

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 5ds5 Chain B Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ds5 Foreign DNA capture during CRISPR-Cas adaptive immunity.
• Resolution: 2.951 Å
• Binding residue (original residue number in PDB): E141 H208 D221
• Binding residue (residue number reindexed from 1): E138 H205 D218
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.1.-.-

Gene Ontology

Molecular Function

• GO:0003676 nucleic acid binding
• GO:0003677 DNA binding
• GO:0004519 endonuclease activity
• GO:0004520 DNA endonuclease activity
• GO:0005515 protein binding
• GO:0008821 crossover junction DNA endonuclease activity
• GO:0017108 5'-flap endonuclease activity
• GO:0042802 identical protein binding
• GO:0042803 protein homodimerization activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006281 DNA repair
• GO:0006974 DNA damage response
• GO:0043571 maintenance of CRISPR repeat elements
• GO:0051607 defense response to virus
• GO:0099048 CRISPR-cas system

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5ds5, PDBe:5ds5, PDBj:5ds5
• PDBsum: 5ds5
• PubMed: 26503043
• UniProt: Q46896|CAS1_ECOLI CRISPR-associated endonuclease Cas1 (Gene Name=ygbT)