Structure of PDB 8asd Chain A Binding Site BS07

Receptor Information

>8asd Chain A (length=1826) Species: 992210 (SFTS virus AH12)

MNLEVLCGRINVENGLSLGEPGLYDQIYDRPGLPDLDVTVDATGVTVDIG
AVPDSASQLGSSINAGLITIQLSEAYKINHDFTFSGLSKTTDRRLSEVFP
ITHDGSDGMTPAVIHTRLDGTIVVVEFSTTRSHNIGGLEAAYRTKIEKYR
DPISRRVDIMENPRVFFGVIVVSSGGVLSNMPLTQDEAEELMYRFCIANE
IYTKARSMDADIELQKSEEELEAISRALSFFSLFEPNIERVEGTFPNSEI
KMLEQFLSTPADVDFITKTLKAKEVEAYADLCDSHYLKPEKTIQERLEIN
RCEAIDKTQDLLAGLHARSNKQTSLNRGTVKLPPWLPKPSSESIDIKTDS
GFGSLMDHGAYGELWAKCLLDVSLGNVEGVVSDPAKELDIAISDDPEKDT
PKEAKITYRRFKPALSSSARQEFSLQGVEGKKWKRMAANQKKEKESHETL
SPFLDVEDIGDFLTFNNLLTDSRYGDESIQRAVSILLEKASAMQDTELTH
ALNDSFKRNLSSNVVQWSLWVSCLAQELASALKQHCRAGEFIIKKLKFWP
IYVIIKPTKSSSHIFYSLGIRKADVTRRLTGRVFSDTIDAGEWELTEFKS
LKTCKLTNLVNLPCTMLNSIAFWREKLGVAPWLVRKPCSELREQVGLTFL
ISLEDKSKTEEIITLTRYTQMEGFVSPPMLPKPQKMLGKLDGPLRTKLQV
YLLRKHLDCMVRIASQPFSLIPREGRVEWGGTFHAISGRSTNLENMVNSW
YIGYYKNKEESTELNALGEMYKKIVEMEEDKPSSPEFLGWGDTDSPKKHE
FSRSFLRAACSSLEREIAQRHGRQWKQNLEERVLREIGTKNILDLASMKA
TSNFSKDWELYSEVQTKEYHRSKLLEKMATLIEKGVMWYIDAVGQAWKAV
LDDGCMRICLFKKNQHGGLREIYVMDANARLVQFGVETMARCVCELSPHE
TVANPRLKNSIIENHGLKSARSLGPGSININSSNDAKKWNQGHYTTKLAL
VLCWFMPAKFHRFIWAAISMFRRKKMMVDLRFLAHLSSKSESRSSDPFRE
AMTDAFHGNRDVSWMDKGRTYIKTETGMMQGILHFTSSLLHSCVQSFYKS
YFVSKLKEGYMGESISGVVDVIEGSDDSAIMISIRPKSDMDEVRSRFFVA
NLLHSVKFLNPLFGIYSSEKSTVNTVYCVEYNSEFHFHRHLVRPTLRWIA
ASHQISETEALASRQEDYSNLLTQCLEGGASFSLTYLIQCAQLLHHYMLL
GLCLHPLFGTFMGMLISDPDPALGFFLMDNPAFAGGAGFRFNLWRACKTT
DLGRKYAYYFNEIQGKTKGDEDYRALDATSGGTLSHSVMVYWGDRKKYQA
LLNRMGLPEDWVEQIDENPGVLYRRAANKKELLLKLAEKVHSPGVTSSLS
KGHVVPRVVAAGVYLLSRHCFRFSSSIHGRGSTQKASLIKLLMMSSISAM
KHGGSLNPNQERMLFPQAQEYDRVCTLLEEVEHLTGKFVVRERNIVRSRI
DLFQEPVDLRCKAEDLVSEVWFGLKRTKLGPRLLKEEWDKLRASFAWLST
DPSETLRDGPFLSHVQFRNFIAHVDAKSRSVRLLGAPVVTTISQVVRMNF
FPGFSLESISILKHVLFMVLNGPYTEEYKLEMIIEAFSTLVIPQPSEVIR
KSRTMTLCLLSNYLSSRGGSILDQIERAQSGTLGGFSKPQKTFVRPGGGV
GYKGKGVWTGVMEDTHVQILIDGDGTSNWLEEIRLSSDARLYDVIESIRR
LCDDLGINNRVASAYRGHCMVRLSGFKIKPASRTDGCPVRIMVKMRVRGD
ILNLSVTIQEGRVMNILSYRPRDTDI

Ligand information

• Ligand ID: 2KH
• InChI: InChI=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
• InChIKey: OZIBFYOFLVBDIY-XVFCMESISA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C1=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 12.01: O=P(O)(O)OP(=O)(O)NP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
  CACTVS 3.385: O[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 3.385: O[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 1.7.6: C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O
• Formula: C9 H16 N3 O14 P3
• Name: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]uridine
• ZINC: ZINC000098208190
• PDB chain: 8asd Chain A Residue 2104

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8asd Structural insights into viral genome replication by the severe fever with thrombocytopenia syndrome virus L protein.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): K913 R920 A986 K988 W989 N990 Q1080 G1081 D1126 K1170
• Binding residue (residue number reindexed from 1): K913 R920 A986 K988 W989 N990 Q1080 G1081 D1126 K1170
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.7.48: RNA-directed RNA polymerase.

Gene Ontology

Molecular Function

• GO:0003968 RNA-dependent RNA polymerase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0001172 RNA-templated transcription
• GO:0006351 DNA-templated transcription
• GO:0019079 viral genome replication
• GO:0039694 viral RNA genome replication

Cellular Component

• GO:0044165 host cell endoplasmic reticulum
• GO:0044172 host cell endoplasmic reticulum-Golgi intermediate compartment
• GO:0044177 host cell Golgi apparatus
• GO:0044423 virion component

External links

• PDB: RCSB:8asd, PDBe:8asd, PDBj:8asd
• PDBsum: 8asd
• PubMed: 36651274
• UniProt: U3GU88