Structure of PDB 2q7u Chain A Binding Site BS01

Receptor Information
>2q7u Chain A (length=268) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMSIAQVRSAGSAGNFYTDKDNYYVLGSMGERWAGRGAEQLGLQGSVDKD
VFTRLLEGRLPDGADLSRMQDGSNRHRPGYDLTFSAPKSVSMMAMLGGDK
RLIDAHNQAVDFAVRQVEALASTRVMTQSETVLTGNLVMALFNHDTSRDQ
EPQLHTHAVVANVTQHNGEWKTLSSDKVGKTGFIENVYANQIAFGRLYRE
KLKEQVEALGYETEVVGKHGMWEMPGVPVEAFSGRVDPEIKMAEWMQTLK
ETGFDIRAYRDAADQRAD
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 chain2q7u Chain A Residue 3001 [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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PDB2q7u Disrupting antibiotic resistance propagation by inhibiting the conjugative DNA relaxase.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		H146 H157 H159
Binding residue
(residue number reindexed from 1)		H144 H155 H157
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
5.6.2.1: DNA topoisomerase.
External links
PDB RCSB:2q7u, PDBe:2q7u, PDBj:2q7u
PDBsum2q7u
PubMed17630285
UniProtP14565|TRAI1_ECOLI Multifunctional conjugation protein TraI (Gene Name=traI)

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