Structure of PDB 9f37 Chain C Binding Site BS02

Receptor Information
>9f37 Chain C (length=734) Species: 11320 (Influenza A virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSGMERIKELMEMVKNSRMREILTTTSVDHMAVIKKYTSGRQEKNPALRM
KWMMAMKYPISASSRIREMIPEKDEDGNTLWTNTKDAGSNRVLVSPNAVT
WWNRAGPVSDVVHYPRVYKMYFDRLERLTHGTFGPVKFYNQVKVRKRVDI
NPGHKDLTSREAQEVIMEVVFPNEVGARTLSSDAQLTITKEKKEELKNCK
ISPIMVAYMLERELVRRTRFLPIAGATSSTYVEVLHLTQGTCWEQQYTPG
GEAENDDLDQTLIIASRNIVRRSIVAIDPLASLLSMCHTTSISSEPLVEI
LRSNPTDEQAVNICKAALGIRINNSFSFGGYNFKRVKGSSQRTEKAVLTG
NLQTLTMTIFEGYEEFNVSGKRASAVLKKGAQRLIQAIIGGRTLEDILNL
MITLMVFSQEEKMLKAVRGDLNFVNRANQRLNPMYQLLRHFQKDSSTLLK
NWGTEEIDPIMGIAGIMPDGTINKTQTLMGVRLSQYSFNERIRVNIDKYL
RVRNEKGELLISPEEVSEAQGQEKLPINYNSSLMWEVNGPESILTNTYHW
IIKNWELLKTQWMTDPTVLYNRIEFEPFQTLIPKGNRAIYSGFTRTLFQQ
MRDVEGTFDSIQIIKLLPFSAHPPSLGRTQFSSFTLNIRGAPLRLLIRGN
SQVFNYNQMENVIIVLGKSVGSPESSIESAVLRGFLILGKANSKYGPVLT
IGELDKLGRGEKANVLIGQGDTVLVMKRKRDSSI
Ligand information
Ligand IDMGT
InChIInChI=1S/C11H20N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H,25,26)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1
InChIKeyBUJQMJUTTBGELS-KQYNXXCUSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(N1C=2N=C(N)NC(=O)C=2N(C1)C)C(O)C3O
OpenEye OEToolkits 1.5.0CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341CN1CN([C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O)C3=C1C(=O)NC(=N3)N
CACTVS 3.341CN1CN([CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)C3=C1C(=O)NC(=N3)N
OpenEye OEToolkits 1.5.0CN1CN(C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O
FormulaC11 H20 N5 O14 P3
Name7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1234306
DrugBankDB03358
ZINCZINC000036753028
PDB chain9f37 Chain C Residue 902 [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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PDB9f37 High-resolution structure of a replication-initiation like configuration of influenza polymerase active site visualises the essential role of a conserved dibasic motif in the PA subunit
Resolution1.905 Å
Binding residue
(original residue number in PDB)		R264 Q306 F323 R339 F357 E361 F363 K376 F404 S519
Binding residue
(residue number reindexed from 1)		R267 Q309 F326 R342 F360 E364 F366 K379 F407 S517
Annotation score1
External links