Structure of PDB 8asb Chain A Binding Site BS05

Receptor Information

>8asb Chain A (length=1715) Species: 992210 (SFTS virus AH12)

MNLEVLCGRINVENGLSLGEPGLYDQIYDRPGLPDLDVTVDATGVTVDIG
AVPDSASQLGSSINAGLITIQLSEAYKINHDFTFSGLSKTTDRRLSEVFP
ITHDGSDGMTPAVIHTRLDGTIVVVEFSTTRSHNIGGLEAAYRTKIEKYR
DPISRRVDIMENPRVFFGVIVVSSGGVLSNMPLTQDEAEELMYRFCIANE
IYTKARSMDADIELQKSEEELEAISRALSFFSLFEPNIERVEGTFPNSEI
KMLEQFLSTPADVDFITKTLKAKEVEAYADLCDSHYLKPEKTIQERLEIN
RCEAIDKTQDLLAGLHARSNKQTSLNRGTVKLPPWLPKPSSESISGFGSL
MDHGAYGELWAKCLLDVSLGNVEGVVSDPAKELDIAISDYRRFKPALSSS
ARQEFSLQGVEGKKWKRMAANQKKEKESHETLSPFLDVEDIGDFLTFNNL
LTDSRYGDESIQRAVSILLEKASAMQDTELTHALNDSFKRNLSSNVVQWS
LWVSCLAQELASALKQHCRAGEFIIKKLKFWPIYVIIKPTKSSSHIFYSL
GIRKADVTRRLTGRVFSDTIDAGEWELTEFKSLKTCKLTNLVNLPCTMLN
SIAFWREKLGVAPWLVRKPCSELREQVGLTFLISLEDKSKTEEIITLTRY
TQMEGFVSPPMLPKPQKMLGKLDGPLRTKLQVYLLRKHLDCMVRIASQPF
SLIPREGRVEWGGTFHAISGRSTNLENMVNSWYIGYYKNKEESTELNALG
EMYKKIVEMEEDKPSSPEFLGWGDTDSPKKHEFSRSFLRAACSSLEREIA
QRHGRQWKQNLEERVLREIGTKNILDLASMKATSNFSKDWELYSEVQTKE
YHRSKLLEKMATLIEKGVMWYIDAVGQAWKAVLDDGCMRICLFKKNQHGG
LREIYVMDANARLVQFGVETMARCVCELSPHETVANPRLKNSIIENHGLK
SARSLGPGSININSSNDAKKWNQGHYTTKLALVLCWFMPAKFHRFIWAAI
SMFRRKKMMVDLRFLAHLSSKSESRSSDPFREAMTDAFHGNRDVSWMDKG
RTYIKTETGMMQGILHFTSSLLHSCVQSFYKSYFVSKLKEGYMGESISGV
VDVIEGSDDSAIMISIRPKSDMDEVRSRFFVANLLHSVKFLNPLFGIYSS
EKSTVNTVYCVEYNSEFHFHRHLVRPTLRWIAASHQISETEALASRQEDY
SNLLTQCLEGGASFSLTYLIQCAQLLHHYMLLGLCLHPLFGTFMGMLISD
PDPALGFFLMDNPAFAGGAGFRFNLWRACKTTDLGRKYAYYFNEISVMVY
WGDRKKYQALLNRMGLPEDWVEQIDENPGVLYRRAANKKELLLKLAEKVH
SPGVTSSLSKGHVVPRVVAAGVYLLSRHCFRFSQKASLIKLLMMSSISAM
KHGGSLNPNQERMLFPQAQEYDRVCTLLEEVEHLTGKFVERNIVRSRIDC
KAEDLVSEVWFGLKRTKLGPRLLKEEWDKLRASFAWLSTDPSETLRDGPF
LSHVQFRNFIAHVDSRSVRLLGAPTTISQVVRMNFFPGFSLEKSRTMTLC
LLSNYLSSRGGSILDQIERAQSGTLGGFSKPQKTFVRPGGGVGYKGKGVW
TGVMEDTHVQILIDGDGTSNWLEEIRLSSDARLYDVIESIRRLCDDLGIN
NRVASAYRGHCMVRLSGFKIKPASRTDGCPVRIMPDEVKMRVRGDILNLS
VTIQEGRVMNILSYR

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: 8asb Chain A Residue 2102

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8asb Structural insights into viral genome replication by the severe fever with thrombocytopenia syndrome virus L protein.
• Resolution: 3.6 Å
• Binding residue (original residue number in PDB): K913 R920 W989 N990 Q1080 G1081 D1126 K1170
• Binding residue (residue number reindexed from 1): K895 R902 W971 N972 Q1062 G1063 D1108 K1152
• 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:8asb, PDBe:8asb, PDBj:8asb
• PDBsum: 8asb
• PubMed: 36651274
• UniProt: U3GU88