Structure of PDB 4ly6 Chain U Binding Site BS01

Receptor Information
>4ly6 Chain U (length=247) Species: 63363 (Aquifex aeolicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EYVFESPKMKEILEKIKKISCAECPVLITGESGVGKEVVARLIHKLSDRS
KEPFVALNVASIPRDIFEAELFGYEKGAFTGAVSSKEGFFELADGGTLFL
DEIGELSLEAQAKLLRVIESGKFYRLGGRKEIEVNVRILAATNRNIKELV
KEGKFREDLYYRLGVIEIEIPPLRERKEDIIPLANHFLKKFSRKYAKEVE
GFTKSAQELLLSYPWYGNVRELKNVIERAVLFSEGKFIDRGELSCLV
Ligand information
Ligand ID08T
InChIInChI=1S/C10H15N5O10P2.Be.3FH/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;3*1H/q;+4;;;/p-4/t4-,6-,7-,10-;;;;/m1..../s1
InChIKeyWOGYHYSOODLXII-KWIZKVQNSA-J
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2[Be](OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)(F)(F)F
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[Be](F)(F)F)[C@@H](O)[C@H]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[Be](F)(F)F)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.2[Be](OP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)(F)(F)F
FormulaC10 H14 Be F3 N5 O10 P2
Name[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium
ChEMBL
DrugBank
ZINC
PDB chain4ly6 Chain T Residue 400 [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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PDB4ly6 Nucleotide-induced asymmetry within ATPase activator ring drives sigma 54-RNAP interaction and ATP hydrolysis.
Resolution3.6 Å
Binding residue
(original residue number in PDB)
E256 R299
Binding residue
(residue number reindexed from 1)
E119 R162
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008134 transcription factor binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006355 regulation of DNA-templated transcription

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Molecular Function

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Biological Process
External links
PDB RCSB:4ly6, PDBe:4ly6, PDBj:4ly6
PDBsum4ly6
PubMed24240239
UniProtO67198

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