Structure of PDB 7y7t Chain A Binding Site BS03

Receptor Information
>7y7t 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]
APVAARLRNIWPKFPKWLHEAPLAVAWEVTRLFMHCKVDLEDESLKYDPS
WSTARDVTDIWKTLDAFRPEKPPNDVFVTAMTGNFESKGSAVVLSAVLDY
NPDNSPAPLYLVKLKPLMFEQGCRLTRRFGPDRFFEILIPSPTSPSVPPV
VSKQAVEEVIQWLTMGQHSLVGRQWRAFFAKDAIIKERVHFFAETGITFR
PEPVEQRTEFKVSQMLDWLLQLDNNTWQPHLKLFSRIQLGLSKTYAIMTL
EPHQIRHHKTDLLSPSGTGEVMNDGVGRMSRSVAKRIRDVLGLGDVPSAV
QGRFGSAKGMWVIDVDDTGDEDWIETYPSQRKWECDFVDKHQRTLEVRSV
ASELKSAGLNLQLLPVLEDRARDKVKMRQAIGDRLINDLQRQFSEQKHAL
NRPVEFRQWVYESYSSRATRVSHGRVPFLAGLPDSQEETLNFLMNSGFDP
KKQKYLQDIAWDLQKRKCDTLKSKLNIRVGRSAYIYMIADFWGVLEENEV
HVGFSSKFRDEEESFTLLSDCDVLVARSPAHFPSDIQRVRAVFKPELHSL
KDVIIFSTKGDVPLAKKLSGGDYDGDMAWVCWDPEIVDGFVNAEMPLEPD
LSRYLKKDKTTFKQLMASHGTGSAAKEQTTYDMIQKSFHFALQPNFLGMC
TNYKERLCYINNSVSNKPAIILSSLVGNLVDQSKQGIVFNEASWAQLRRE
LLGGALSLPDPMYKSDSWLGRGEPTHIIDYLKFSIARPAIDKELEAFHNA
MAHFWDPDLASYYTFFKEISDKSRSSALLFTTLKNRIGEVEKEYGNKSKD
PYPVRVNQVYEKWCAITPEANYDSKVIRLLELSFLADREMNTWALLRAST
AFKLYYHKSPKFVWQMAGRQLAYIKAQMTSRPGEGAPALMTAFMYAGLMP
DKKFTKQYVARLEGDGSEYPDPEVYEDGIGFTGNGDY
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 chain7y7t Chain A Residue 1501 [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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PDB7y7t Structural insights into the dual activities of the two-barrel RNA polymerase QDE-1.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		R671 K743 K767 R962 D1007 D1009 V1115 K1119
Binding residue
(residue number reindexed from 1)		R236 K308 K332 R527 D572 D574 V680 K684
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:7y7t, PDBe:7y7t, PDBj:7y7t
PDBsum7y7t
PubMed36039765
UniProtQ9Y7G6

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