Structure of PDB 7y7r Chain B Binding Site BS05

Receptor Information
>7y7r Chain B (length=897) Species: 5141 (Neurospora crassa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AALRNIWPKFPKWHEAPLAVAWEVTRFMHKVDSLGLKYDPSTARDVTDIE
KPPNDVFVTAMTGNFESKGSAVVLSAVLDYNPDNSPLYLVKLKPLMFEQG
CRLTRRFGPDRFFEILIPSPTSSPSVPPVSKQAVEEVIQWLTMGQHSLVG
RQWRAFFAKDAGYRKPPIIKERVHFFAETGITFRPDEPVEQRTEFKVSQM
LDWLLQLDNNTWQPHLKLFSRIQLGLSKTYAIMTLEPHQIRHHKTDLLSP
SGTGEVMNDGVGRMSRSVAKRIRDVLGLGDVPSAVQGRFGSAKGMWVIDV
DDTGDEDWIETYPSQRKWECDFVDKHQRTLEVRSVASELKSAGLNLQLLP
VLEDRARDKVKMRQAIGDRLINDLQRQFSEQKHALNRPVEFRQWVYESYS
SRATRVSHGRVPFLAGLPDSQEETLNFLMNSGFDPKKQKYLQDIAWDLQK
RKCDTLKSKLNIRVGRSAYIYMIADFWGVLEENEVHVGFSSKFRDEESFT
LLSDCDVLVARSPAHFPSDIQRVRAVFKPELHSLKDVIIFSTKGDVPLAK
KLSGGDYDGDMAWVCWDPEIVDGFVNAEMPLEPDLSRYLKKDKTTFKQLM
ASHGTGSAAKEQTTYDMIQKSFHFALQPNFLGMCTNYKERLCYINNSVSN
KPAIILSSLVGNLVDQSKQGIVFNEASWAQLRRELLGGALSLPDPMYKSD
SWLGRGEPTHIIDYLKFSIARPAIDKELEAFHNMKAADGAHFWDPDLASY
YTFFKEISDKSRSSALLFTTLKNRIGEVEKEYGRLVKKEDPYPVRVNQVY
EKWCAITPSKVIRLLELSFLADREMNTWALLRASTAFKLYYHKSPKFVWQ
MAGRQLAYIKAQMTSRPGEGAPALMTAFMYAGLMPDKKFTKQYVARL
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain7y7r Chain B Residue 1506 [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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PDB7y7r Structural insights into the dual activities of the two-barrel RNA polymerase QDE-1.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		R671 K743 K767 D1009 K1119
Binding residue
(residue number reindexed from 1)		R221 K293 K317 D558 K668
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:7y7r, PDBe:7y7r, PDBj:7y7r
PDBsum7y7r
PubMed36039765
UniProtQ9Y7G6

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