Structure of PDB 2a0i Chain A Binding Site BS02

Receptor Information
>2a0i Chain A (length=293) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMSIAQVRSAGSAGNFYTDVLGSGERWAGRGAEQLGLQGSVDKDVFTRLL
EGRLPDGADLSRMQDGSNRHRPGYDLTFSAPKSVSMMAMLGGDKRLIDAH
NQAVDFAVRQVEALASTRVTVLTGNLVMALFNHDTSRDQEPQLHTHAVVA
NVTQHNGEWKTLSSDKVGKTGFIENVYANQIAFGRLYREKLKEQVEALGY
ETEVVGKHGMWEMPGVPVEAFSGRSQTIREAVGEDASLKSRDVAALDTRK
SKQHVDPEIKMAEWMQTLKETGFDIRAYRDAADQRADLRTLTP
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2a0i Chain A Residue 900 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2a0i Inter- and intramolecular determinants of the specificity of single-stranded DNA binding and cleavage by the f factor relaxase.
Resolution2.72 Å
Binding residue
(original residue number in PDB)		H146 H157 H159
Binding residue
(residue number reindexed from 1)		H133 H144 H146
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
5.6.2.1: DNA topoisomerase.
External links
PDB RCSB:2a0i, PDBe:2a0i, PDBj:2a0i
PDBsum2a0i
PubMed16216584
UniProtP14565|TRAI1_ECOLI Multifunctional conjugation protein TraI (Gene Name=traI)

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