Structure of PDB 8as7 Chain A Binding Site BS06

Receptor Information

>8as7 Chain A (length=1575) Species: 992210 (SFTS virus AH12)

MNLEVLCGRINVENGLSLGEPGLYDQIYDRPGLPDLDVTVDATGVTVDIG
AVPDSASQLGSSINAGLITIQLSEAYKINHDFTFSGLSKTTDRRLSEVFP
ITHDGSDGMTPAVIHTRLDGTIVVVEFSTTRSHNIGGLEAAYRTKIEKYR
DPISRRVDIMENPRVFFGVIVVSSGGVLSNMPLTQDEAEELMYRFCIANE
IYTKARSMDADIELQKSEEELEAISRALSFFSLFEPNIERVEGTFPNSEI
KMLEQFLSTPADVDFITKTLKAKEVEAYADLCDSHYLKPEKTIQERLEIN
RCEAIDKTQDLLAGLHARSNKQTSLNRGTVKLPPWLPKPSSESIDIKTDS
GFGSLMDHGAYGELWAKCLLDVSLGNVEGVVSDPAKELDIAISAKITYRR
FKPALSSSARQEFSLQGVEGKKWKRMAANQKKEKESHETLSPFLDVEDIG
DFLTFNNLLTDSRYGDESIQRAVSILLEKASAMQDTELTHALNDSFKRNL
SSNVVQWSLWVSCLAQELASALKQHCRAGEFIIKKLKFWPIYVIIKPTKS
SSHIFYSLGIRKADVTRRLTGRVFSDTIDAGEWELTEFKSLKTCKLTNLV
NLPCTMLNSIAFWREKLGVAPWLVRKPCSELREQVGLTFLISLEDKSKTE
EIITLTRYTQMEGFVSPPMLPKPQKMLGKLDGPLRTKLQVYLLRKHLDCM
VRIASQPFSLIPREGRVEWGGTFHAISGRSTNLENMVNSWYIGYYKNKEE
STELNALGEMYKKIVEMEEDKPSSPEFLGWGDTDSPKKHEFSRSFLRAAC
SSLEREIAQRHGRQWKQNLEERVLREIGTKNILDLASMKATSNFSKDWEL
YSEVQTKEYHRSKLLEKMATLIEKGVMWYIDAVGQAWKAVLDDGCMRICL
FKKNQHGGLREIYVMDANARLVQFGVETMARCVCELSPHETVANPRLKNS
IIENHGLKSARSLGPGSININSSNDAKKWNQGHYTTKLALVLCWFMPAKF
HRFIWAAISMFRRKKMMVDLRFLAHLSSKSESRSSDPFREAMTDAFHGNR
DVSWMDKGRTYIKTETGMMQGILHFTSSLLHSCVQSFYKSYFVSKLKEGY
MGESISGVVDVIEGSDDSAIMISIRPKSDMDEVRSRFFVANLLHSVKFLN
PLFGIYSSEKSTVNTVYCVEYNSEFHFHRHLVRPTLRWIAASHQISETEA
LASRQEDYSNLLTQCLEGGASFSLTYLIQCAQLLHHYMLLGLCLHPLFGT
FMGMLISDPDPALGFFLMDNPAFAGGAGFRFNLWRACKTTDLGRKYAYYF
NEIQGKGTLSHSVMVYWGDRKKYQALLNRMGLPEDWVEQIDENPGVLYRR
AANKKELLLKLAEKVHSPGVTSSLSKGHVVPRVVAAGVYLLSRHCFRFSQ
KASLIKLLMMSSISAMKHGGSLNPNQERMLFPQAQEYDRVCTLLEEVEHL
TGKFVVRERNIVRSRIDLFQEPVDLRCKAEDLVSEVWFGLKRTKLGPRLL
KEEWDKLRASFAWLSTDPSETLRDGPFLSHVQFRNFIAHVDAKSRSVRLL
GAPVKKVTTISQVVRMNFFPGFSLE

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: 8as7 Chain A Residue 2104

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8as7 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): R920 A986 N990 Q1080 G1081 D1126 K1170
• Binding residue (residue number reindexed from 1): R910 A976 N980 Q1070 G1071 D1116 K1160
• 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:8as7, PDBe:8as7, PDBj:8as7
• PDBsum: 8as7
• PubMed: 36651274
• UniProt: U3GU88