Structure of PDB 4c30 Chain I Binding Site BS03

Receptor Information

>4c30 Chain I (length=638) Species: 1299 (Deinococcus radiodurans)

PDLLQALNPTQAQAADHFTGPALVIAGAGSGKTRTLIYRIAHLIGHYGVH
PGEILAVTFTNKAAAEMRERAGHLVPGAGDLWMSTFHSAGVRILRTYGEH
IGLRRGFVIYDDDDQLDIIKEVMGSIPGETQPRVIRGIIDRAKSNLWTPD
DLDRSREPFISGLPRDAAAEAYRRYEVRKKGQNAIDFGDLITETVRLFKE
VPGVLDKVQNKAKFIHVDEYQDTNRAQYELTRLLASRDRNLLVVGDPDQS
IYKFRGADIQNILDFQKDYPDAKVYMLEHNYRSSARVLEAANKLIENNTE
RLDKTLKPVKEAGQPVTFHRATDHRAEGDYVADWLTRLHGEGRAWSEMAI
LYRTNAQSRVIEESLRRVQIPARIVGYDRREIRDILAYARLALNPADDVA
LRRIIGRPRRGIGDTALQKLMEWARTHHTSVLTACANAAEQNILDRGAHK
ATEFAGLMEAMSEAADNYEPAAFLRFVMETSGYLDLLRQEGQEGQVRLEN
LEELVSAAEEWSQDEAGSIADFLDDAALLSSVDDGAPEDAVTLMTLHNAK
GLEFPVVFIVGVEQGLLPSKGAIAEGPSGIEEERRLFYVGITRAMERLLM
TAAQNRMQFGKTNAAEDSAFLEDIEGLFDTVDPYGQPI

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: 4c30 Chain I Residue 1663

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4c30 Structural and Mechanistic Insight Into DNA Unwinding by Deinococcus Radiodurans Uvrd.
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): R396 D397
• Binding residue (residue number reindexed from 1): R383 D384
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): T39 D227 Q258
• Catalytic site (residue number reindexed from 1): T33 D218 Q249
• Enzyme Commision number: 5.6.2.4: DNA 3'-5' helicase.

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0003678 DNA helicase activity
• GO:0005524 ATP binding
• GO:0016787 hydrolase activity

External links

• PDB: RCSB:4c30, PDBe:4c30, PDBj:4c30
• PDBsum: 4c30
• PubMed: 24143224
• UniProt: Q9RTI9