Structure of PDB 7y7s Chain A Binding Site BS05

Receptor Information
>7y7s Chain A (length=937) Species: 5141 (Neurospora crassa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HAPVVAARLRNIWPKFPKWLHEAPLAVAWEVTRLFMHCKVDLEDESLGLK
YDPSWSTARDVTDIWKTLYRLDAFRKPFPEKPPNDVFVTAMTGNFESKGS
AVVLSAVLDYNPDNSPTAPLYLVKLKPLMFEQGCRLTRRFGPDRFFEILI
PSPTSTSPSVPPVVSKQPGAVEEVIQWLTMGQHSLVGRQWRAFFAKDAGY
RKPLREFKPIIKERVHFFAETGITFRPDEPVEQRTEFKVSQMLDWLLQLD
NNTWQPHLKLFSRIQLGLSKTYAIMTLEPHQIRHHKTDLLSPSGTGEVMN
DGVGRMSRSVAKRIRDVLGLGDVPSAVQGRFGSAKGMWVIDVDDTGDEDW
IETYPSQRKWECDFVDKHQRTLEVRSVASELKSAGLNLQLLPVLEDRARD
KVKMRQAIGDRLINDLQRQFSEQKHALNRPVEFRQWVYESYSSRATRVSH
GRVPFLAGLPDSQEETLNFLMNSGFDPKKQKYLQDIAWDLQKRKCDTLKS
KLNIRVGRSAYIYMIADFWGVLEENEVHVGFSSKFRDEEESFTLLSDCDV
LVARSPAHFPSDIQRVRAVFKPELHSLKDVIIFSTKGDVPLAKKLSGGDY
DGDMAWVCWDPEIVDGFVNAEMPLEPDLSRYLKKDKTTFKQLMASHGTGS
AAKEQTTYDMIQKSFHFALQPNFLGMCTNYKERLCYINNSVSNKPAIILS
SLVGNLVDQSKQGIVFNEASWAQLRRELLGGALSLPDPMYKSDSWLGRGE
PTHIIDYLKFSIARPAIDKELEAFHNAMAHFWDPDLASYYTFFKEISDKS
RSSALLFTTLKNRIGEVEKEYGRDSKDPYPVRVNQVYEKWCAITPESKVI
RLLELSFLADREMNTWALLRASTAFKLYYHKSPKFVWQMAGRQLAYIKAQ
MTSRPGEGAPALMTAFMYAGLMPDKKFTKQYVARLEG
Ligand information
Ligand IDZAN
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-29(19,20)15-30(21,22)28-31(23,24)25/h2-4,6-7,10,17-18H,1H2,(H2,11,12,13)(H2,23,24,25)(H3,15,19,20,21,22)/t4-,6-,7-,10-/m1/s1
InChIKeyWUPFAKUEHUVIDK-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O)N
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)NP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC10 H17 N6 O12 P3
Name5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine
ChEMBL
DrugBank
ZINCZINC000034177510
PDB chain7y7s Chain A Residue 1504 [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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PDB7y7s Structural insights into the dual activities of the two-barrel RNA polymerase QDE-1.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		R671 K743 K767 R962 D1007 D1009 V1115 D1116 K1119
Binding residue
(residue number reindexed from 1)		R263 K335 K359 R554 D599 D601 V707 D708 K711
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
Gene Ontology
Molecular Function
GO:0003968 RNA-dependent RNA polymerase activity

View graph for
Molecular Function
External links
PDB RCSB:7y7s, PDBe:7y7s, PDBj:7y7s
PDBsum7y7s
PubMed36039765
UniProtQ9Y7G6

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