Structure of PDB 9f37 Chain B Binding Site BS03

Receptor Information
>9f37 Chain B (length=736) Species: 11320 (Influenza A virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDVNPMLIFLKVPVQNAISTTFPYTGDPPYSHGTGTGYTMDTVIRTHDYS
SRGIWKTNSETGAQQLNPIDGPLPEDNEPSGYAQTDCVLELIEGLDRSHP
GLFETACQETIDAIQQTRVDKLTQGRQTYDWTLNRNQPAATALANTIEVF
RKNGYKLNESGRLIDFLKDVLLSFENDSMEVTTHFGKKRVKLTKKNYLIR
ALTLNTMTKDAERGKLKRRAIATPGMQIRGFVYFVELLARNICERLEQSG
LPVGGNEKKAKLANVIKKMMAKSTDEELSYTITGDNTKWNENQNPRIFLA
MVLRITAGQPEWFRDLLAVAPIMFSNKVARLGRGYMFESKSMHLRTQISA
ENLSDINLRYFNEDTKKKIEKIRHLMVEGTASLSPGMMMGMFNMLSTVLG
VSVLNLGQREILKRTYWWDGLQSSDDFALIINGHFKEDIQQGVNHFYRTC
KLVGINMSQKKSYINKTGTFEFTSFFYRYGFVANFSMELPSFGVAGNNES
ADMSIGTTVIKTNMINNDLGPATAQMAIQLFIKDYRYTYRCHRGDTNLET
RRTKSIKRLWTETISKAGLLVADGGPNPYNLRNLHIPEVCLKWSLMDPDY
RGRLCNPNNPFVHHMEVESTNLAVVMPAHGPAKSLEYDAVATTHSWTPKR
NRSILNTNQRGILEDERIYQKCCQVFEKFFPSSTYRRPIGMASMLDAMLS
RARIDARIDLESGRISSQDFSEITNTCKAIEALKRQ
Ligand information
Ligand IDCTP
InChIInChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyPCDQPRRSZKQHHS-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O
FormulaC9 H16 N3 O14 P3
NameCYTIDINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL223533
DrugBankDB02431
ZINCZINC000003861746
PDB chain9f37 Chain B Residue 804 [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)		R239 D305 N306 T307 K308 W309 N310 M409 G410 D445 K481
Binding residue
(residue number reindexed from 1)		R219 D285 N286 T287 K288 W289 N290 M389 G390 D425 K461
Annotation score1
External links