Structure of PDB 5fmm Chain A Binding Site BS01

Receptor Information
>5fmm Chain A (length=425) Species: 11320 (Influenza A virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNDDVDQSLIIAARNIVRRATVSADPLASLLEMCHSTQIGGIRMVDILRQ
NPTEEQAVDICKAAMGLRISSSFSFGGFTFKRTSGSSVKKEEEVLTGNLQ
TLKIRVHEGYEEFTMVGRRATAILRKATRRLIQLIVSGRDQQSIAEAIIV
AMVFSQEDCMIKAVRGDLNFVNRANQRLNPMHQLLRHFQKDAKVLFQNWG
IEPIDNVMGMIGILPDMTPSTEMSLRGVRVSKMGVDEYSSTERVVVSIDR
FLRVRDQRGNVLLSPEEVSETQGTEKLTITYSSSMMWEINGPESVLVNTY
QWIIRNWETVKIQWSQDPTMLYNKMEFEPFQSLVPKAARGQYSGFVRTLF
QQMRDVLGTFDTVQIIKLLPFAAAPPKQSRMQFSSLTVNVRGSGMRILVR
GNSPVFNYNKATKRLTVLGKDAGAL
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 chain5fmm Chain A Residue 1676 [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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PDB5fmm Influenza Polymerase Can Adopt an Alternative Configuration Involving a Radical Repacking of Pb2 Domains.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		F323 K339 R355 H357 E361 F363 K376 F404 Q406 N429 M431 H432 V511
Binding residue
(residue number reindexed from 1)		F73 K89 R105 H107 E111 F113 K126 F154 Q156 N179 M181 H182 V261
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006351 DNA-templated transcription

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Molecular Function
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Biological Process
External links
PDB RCSB:5fmm, PDBe:5fmm, PDBj:5fmm
PDBsum5fmm
PubMed26711008
UniProtQ6DNN3

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