Structure of PDB 7om7 Chain A Binding Site BS03

Receptor Information
>7om7 Chain A (length=628) Species: 83810 (Thosea asigna virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TRLSLEAMLAERAMVARQDLAGLKRKLAGADRVLAPQSPEQCGRESAQAQ
ARSVTSELKSAVKEAQGLEHQTLDFLEQLGEYPVCGILHGDHPVHPSGTH
NNNGKVSVKRQFAASDALTCAFRFEDSDLVRETALKTTYTDGTWAGFVQR
LKMQTTRKCVQEKVSRKLLKQLFPYDPQKLVDVSGELSELVLGIKTNAIA
SAGPPYWRTKRDALPDMLDCVLPLLYDHIVRKDLTTLRNKHPELFLAECK
NKTDRYEVESLGEKTRPYFSHPFHLSALVSVLSQSFSGALKIMTEDSTSF
NAYGFSWTNGGAEDLAIWARQAGEAGKKPPRIACYGDDTDIYYRKDGKLY
RICPDFKQMDGSVDATTIEAVVDYVVDAHVKQYPTARQFWEEVGKLWVEM
ATQSPFLIDGTKVYRKMQKDGLMTGVVGTTLFDTVKSALAYNDWADQLMF
GSLNLLEEKYAIEFFKNKHGLVIKEGTWKPALVNEDPGFGELWTEQKFLG
LQLKVVRRENEKVYVPNLPFEDWLTMWVTPRSTETMRERTLFDRARGLLV
TGAVFDERARGLMGAVINSTAPEVVCMRVQISDGYPSYDWVVSLYSRDHP
CDMPRVFPEAATLIASYRKQVMDTRVVI
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 chain7om7 Chain A Residue 701 [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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PDB7om7 Snapshots of a Non-Canonical RdRP in Action.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		K266 R280 Q372 D374 T438 T443 D447 K488
Binding residue
(residue number reindexed from 1)		K252 R266 Q358 D360 T424 T429 D433 K474
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links