Structure of PDB 2q7u Chain A Binding Site BS02

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 IDPON
InChIInChI=1S/H4NO6P2/c1-8(2,3)7-9(4,5)6/h(H4-,1,2,3,4,5,6)/q-1/p-1
InChIKeyVYBCVOULKDXKCH-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0N=[P@@](O)([O-])O[P@](=O)(O)[O-]
CACTVS 3.341O[P@@]([O-])(=N)O[P](O)([O-])=O
OpenEye OEToolkits 1.5.0N=P(O)([O-])OP(=O)(O)[O-]
CACTVS 3.341O[P]([O-])(=N)O[P](O)([O-])=O
FormulaH3 N O6 P2
NameIMIDO DIPHOSPHATE
ChEMBL
DrugBank
ZINC
PDB chain2q7u Chain A Residue 3002 [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)		N22 T148 S149
Binding residue
(residue number reindexed from 1)		N22 T146 S147
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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