Structure of PDB 6szv Chain B Binding Site BS04

Receptor Information
>6szv Chain B (length=743) Species: 1129347 (Influenza A virus (A/little yellow-shouldered bat/Guatemala/060/2010(H17N10))) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDVNPMLIFLKVPVQNAISTTFPYTGDPPYSHGTGTGYTMDTVIRTHDYS
SRGIWKTNSETGAQQLNPIDGPLPEDNEPSGYAQTDCVLELIEGLDRSHP
GLFETACQETIDAIQQTRVDKLTQGRQTYDWTLNRNQPAATALANTIEVF
RKNGYKLNESGRLIDFLKDVLLSFENDSMEVTTHFQKKKRIRDNHSKKMI
TQRTIGKKRVKLTKKNYLIRALTLNTMTKDAERGKLKRRAIATPGMQIRG
FVYFVELLARNICERLEQSGLPVGGNEKKAKLANVIKKMMAKSTDEELSY
TITGDNTKWNENQNPRIFLAMVLRITAGQPEWFRDLLAVAPIMFSNKVAR
LGRGYMFESKSMHLRTQISAENLSDINLRYFNEDTKKKIEKIRHLMVEGT
ASLSPGMMMGMFNMLSTVLGVSVLNLGQREILKRTYWWDGLQSSDDFALI
INGHFKEDIQQGVNHFYRTCKLVGINMSQKKSYINKTGTFEFTSFFYRYG
FVANFSMELPSFGVAGNNESADMSIGTTVIKTNMINNDLGPATAQMAIQL
FIKDYRYTYRCHRGDTNLETRRTKSIKRLWTETISKAGLLVADGGPNPYN
LRNLHIPEVCLKWSLMDPDYRGRLCNPNNPFVHHMEVESTSLEYDAVATT
HSWTPKRNRSILNTNQRGILEDERIYQKCCQVFEKFFPSSTYRRPIGMAS
MLDAMLSRARIDARIDLESGRISSQDFSEITNTCKAIEALKRQ
Ligand information
Ligand ID2KH
InChIInChI=1S/C9H16N3O14P3/c13-5-1-2-12(9(16)10-5)8-7(15)6(14)4(25-8)3-24-27(17,18)11-28(19,20)26-29(21,22)23/h1-2,4,6-8,14-15H,3H2,(H,10,13,16)(H2,21,22,23)(H3,11,17,18,19,20)/t4-,6-,7-,8-/m1/s1
InChIKeyOZIBFYOFLVBDIY-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)NP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
CACTVS 3.385O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.385O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.6C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O
FormulaC9 H16 N3 O14 P3
Name5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine
ChEMBL
DrugBank
ZINCZINC000098208190
PDB chain6szv Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6szv A Structure-Based Model for the Complete Transcription Cycle of Influenza Polymerase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		K229 R239 D305 N306 K308 W309 N310 M409 G410 D445 K481
Binding residue
(residue number reindexed from 1)		K229 R239 D305 N306 K308 W309 N310 M409 G410 D445 K481
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003723 RNA binding
GO:0003968 RNA-dependent RNA polymerase activity
GO:0034062 5'-3' RNA polymerase activity
Biological Process
GO:0001172 RNA-templated transcription
GO:0019083 viral transcription
GO:0039523 symbiont-mediated suppression of host mRNA transcription via inhibition of RNA polymerase II activity
GO:0039694 viral RNA genome replication
Cellular Component
GO:0005737 cytoplasm
GO:0030430 host cell cytoplasm
GO:0042025 host cell nucleus

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6szv, PDBe:6szv, PDBj:6szv
PDBsum6szv
PubMed32304664
UniProtH6QM91

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