Structure of PDB 7y7p Chain B Binding Site BS05

Receptor Information

>7y7p Chain B (length=908) Species: 5141 (Neurospora crassa)

VAARLRNIWPKFPKWLHEAPLAVAWEVTRLFMHCKVDLELKYDPSWSTAR
DVTDIWKTLYRLEKPPNDVFVTAMTGNFESKGSAVVLSAVLDYNPDNSPA
PLYLVKLKPLMFEQGCRLTRRFGPDRFFEILIPSPTSTSPSVPPVVSKQP
AVEEVIQWLTMGQHSLVGRQWRAFFAKDAGYRKPLRPIIKERVHFFAETG
ITFRPDEPVEQRTEFKVSQMLDWLLQLDNNTWQPHLKLFSRIQLGLSKTY
AIMTLEPHQIRHHKTDLLSPSGTGEVMNDGVGRMSRSVAKRIRDVLGLGD
VPSAVQGRFGSAKGMWVIDVDDTGDEDWIETYPSQRKWECDFVDKHQRTL
EVRSVASELKSAGLNLQLLPVLEDRARDKVKMRQAIGDRLINDLQRQFSE
QKHALNRPVEFRQWVYESYSSRATRVSHGRVPFLAGLPDSQEETLNFLMN
SGFDPKKQKYLQDIAWDLQKRKCDTLKSKLNIRVGRSAYIYMIADFWGVL
EENEVHVGFSSKFRDEEESFTLLSDCDVLVARSPAHFPSDIQRVRAVFKP
ELHSLKDVIIFSTKGDVPLAKKLSGGDYDGDMAWVCWDPEIVDGFVNAEM
PLEPDLSRYLKKDKTTFKQLMASHGTGSAAKEQTTYDMIQKSFHFALQPN
FLGMCTNYKERLCYINNSVSNKPAIILSSLVGNLVDQSKQGIVFNEASWA
QLRRELLGGALSLPDPMYKSDSWLGRGEPTHIIDYLKFSIARPAIDKELE
AFHNAEDGAHFWDPDLASYYTFFKEISDKSRSSALLFTTLKNRIGEVEKE
YGRPVRVNQVYEKWCAITPESKVIRLLELSFLADREMNTWALLRASTAFK
LYYHKSPKFVWQMAGRQLAYIKAQMTSRPGEGAPALMTAFMYAGLMPDKK
FTKQYVAR

Ligand information

• Ligand ID: ZAN
• InChI: InChI=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
• InChIKey: WUPFAKUEHUVIDK-KQYNXXCUSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: c1nc(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 1.7.6: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(NP(=O)(O)OP(=O)(O)O)O)O)O)N
  CACTVS 3.370: Nc1ncnc2n(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 3.370: Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)N[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
  ACDLabs 12.01: O=P(O)(O)OP(=O)(O)NP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
• Formula: C10 H17 N6 O12 P3
• Name: 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine
• ZINC: ZINC000034177510
• PDB chain: 7y7p Chain B Residue 1506

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7y7p Structural insights into the dual activities of the two-barrel RNA polymerase QDE-1.
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): R671 K743 K767 R962 P964 D1007 D1009 V1115 D1116
• Binding residue (residue number reindexed from 1): R241 K313 K337 R532 P534 D577 D579 V685 D686
• 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

External links

• PDB: RCSB:7y7p, PDBe:7y7p, PDBj:7y7p
• PDBsum: 7y7p
• PubMed: 36039765
• UniProt: Q9Y7G6