Structure of PDB 3pw2 Chain A Binding Site BS06

Receptor Information

>3pw2 Chain A (length=342) Species: 2287 (Saccharolobus solfataricus)

HMIVLFVDFDYFYAQVEEVLNPSLKGKPVVVCVFSGRFEDSGAVATANYE
ARKFGVKAGIPIVEAKKILPNAVYLPMRKEVYQQVSSRIMNLLREYSEKI
EIASIDEAYLDISDKVRDYREAYNLGLEIKNKILEKEKITVTVGISKNKV
FAKIAADMAKPNGIKVIDDEEVKRLIRELDIADVPGIGNITAEKLKKLGI
NKLVDTLSIEFDKLKGMIGEAKAKYLISLARDEYNEPIRTRVRKSIGRIV
TMKRNSRNLEEIKPYLFRAIEESYYKLDKRIPKAIHVVAVTEDLDIVSRG
RTFPHGISKETAYSESVKLLQKILEEDERKIRRIGVRFSKFI

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3pw2 Chain A Residue 1003

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3pw2 Bypass of Aflatoxin B(1) Adducts by the Sulfolobus solfataricus DNA Polymerase IV.
• Resolution: 2.74 Å
• Binding residue (original residue number in PDB): D8 D106 E107
• Binding residue (residue number reindexed from 1): D8 D106 E107
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.7.7: DNA-directed DNA polymerase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003677 DNA binding
• GO:0003684 damaged DNA binding
• GO:0003887 DNA-directed DNA polymerase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006260 DNA replication
• GO:0006261 DNA-templated DNA replication
• GO:0006281 DNA repair
• GO:0006974 DNA damage response
• GO:0042276 error-prone translesion synthesis

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3pw2, PDBe:3pw2, PDBj:3pw2
• PDBsum: 3pw2
• PubMed: 21790157
• UniProt: Q97W02|DPO4_SACS2 DNA polymerase IV (Gene Name=dbh)