Structure of PDB 4cs9 Chain A Binding Site BS02

Receptor Information
>4cs9 Chain A (length=158) Species: 162145 (human metapneumovirus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RKAPCKYEVRGKCNRGSECKFNHNYWSWPDRYLLIRSNYLLNQLLRNTDR
GREDRTQDFVLGSTNVVQGYIDDNQSITKAAACYSLHNIIKQLQEVEVRQ
ARDNKLSDSKHVALHNLVLSYMEMSKTPASLINNLKRLPREKLKKLAKLI
IDLSAGAE
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain4cs9 Chain A Residue 1172 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4cs9 Drastic Changes in Conformational Dynamics of the Antiterminator M2-1 Regulate Transcription Efficiency in Pneumovirinae.
Resolution2.01 Å
Binding residue
(original residue number in PDB)		C7 K8 Y9 F23
Binding residue
(residue number reindexed from 1)		C5 K6 Y7 F21
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=2.10,Kd=8mM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003746 translation elongation factor activity
GO:0005198 structural molecule activity
GO:0046872 metal ion binding
Biological Process
GO:0006414 translational elongation
GO:0046782 regulation of viral transcription
Cellular Component
GO:0005737 cytoplasm
GO:0030430 host cell cytoplasm
GO:0042025 host cell nucleus
GO:0044423 virion component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4cs9, PDBe:4cs9, PDBj:4cs9
PDBsum4cs9
PubMed24842877
UniProtQ8QN58

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