Structure of PDB 5xog Chain A Binding Site BS06

Receptor Information

>5xog Chain A (length=1414) Species: 644223 (Komagataella phaffii GS115)

SQFPYSSAPLRSVKEVQFGLLSPEEIRAISVVKIEYPEIMDESRQRPREG
GLNDPKLGSIDRNFKCQTCGEGMAECPGHFGHMELAKPVFHIGFIPKIKK
VCECICMNCGKLLLDETNPTMAQAIRIRDPKKRFNAVWQLCKTKMVCEAD
APKVVSRGGCGNTQPVVRKDGMKLWGTWKKSRDAQPERKLLTPGEILNVF
KHISPEDCFRLGFNEDYARPEWMIITVLPVPPPQVRPSIAMDETTQGQDD
LTHKLSDILKANINVQKLEMDGSPQHIINEVEQLLQFHVATYMDNDIAGQ
PQALQKSGRPVKAIRARLKGKEGRLRGNLMGKRVDFSARTVISGDPNLEL
DQVGVPISIAKTLSYPETVTQYNIHRLTEYVRNGPNEHPGAKYVIRDNGD
RIDLRYHKRAGDIVLQYGWKVERHLMDDDPVLFNRQPSLHKMSMMAHRVK
VMPYSTFRLNLSVTSPYNADFDGDEMNLHVPQSEETRAELSQLCAVPLQI
VSPQSNKPVMGIVQDTLCGVRKMTLRDTFIEYEQVMNMLFWVPSWDGVVP
QPAILKPKPLWTGKQLLSIAIPSGIHLQRTDGGNSLLSPKDNGMLIVDGK
VMFGVVDKKTVGSGGGGLIHTVMREKGPKICAELFGNIQKVVNYWLLHNG
FSIGIGDAIADASTMKEITHAISSAKEQVQEIIYKAQHNELELKPGMTLR
ESFEGEVSRTLNDARDSAGRSAEMNLKDLNNVKQMVSAGSKGSFINIAQM
SACVGQQMVEGKRIAFGFADRSLPHFTKDDFSPESKGFVENSYLRGLTPQ
EFFFHAMAGREGLIDTAVKTAETGYIQRRLVKALEDIMVHYDGTTRNSLG
DIIQFLYGEDGLDGTQVERQTIDTIPGSDKAFHKRYYVDLMDEKNSIKPD
VIEYAADILGDVELQKELNSEYEQLVSDRKFLREIVFVNGDHNWPLPVNL
RRIIQNAQQIFHLDRAKASDLTIPEIIHGVRDLCKKLFVLRGENELIKEA
QQNATSLFQCLVRARLATRRILEEFRLNRDAFEWVLGTIEAQFQRSLVHP
GEMVGVIAAQSIGEPATQMNVTLGVPRLKEILNVAKNIKTPALTVYLDRE
IALDIEKAKVIQSSIEYTTLKNVTSATEIYYDPDPTSTVIEEDFDTVEAY
FSQSPWLLRLELDRARMLDKQLTMNQVADKISEVFSDDLFVMWSEDNADK
LIIRCRVIEEDQMLKRIEAHMLDLIALRGIPGISKVYMVKHKVSVPDESG
EYKNEELWALETDGINLAEVMAVPGVDSSRTYSNSFVEILSVLGIEATRS
SLYKEILNVIAFDGSYVNYRHMALLVDVMTSRGYLMAITRHGINRADTGA
LMRCSFEETVEILFEAGAAAELDDCRGVSENVMLGQLAPMGTGAFDVMID
EKLLTSLPADYAPT

Ligand information

• Ligand ID: APC
• InChI: InChI=1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1
• InChIKey: CAWZRIXWFRFUQB-IOSLPCCCSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)OP(=O)(O)O)O)O)O)N
  CACTVS 3.341: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)C[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N
  ACDLabs 10.04: O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
  CACTVS 3.341: Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
• Formula: C11 H18 N5 O12 P3
• Name: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER;
  ALPHA,BETA-METHYLENEADENOSINE-5'-TRIPHOSPHATE
• ChEMBL: CHEMBL132722
• DrugBank: DB02596
• ZINC: ZINC000008295117
• PDB chain: 5xog Chain A Residue 1804

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5xog Structure of the complete elongation complex of RNA polymerase II with basal factors
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): R447 P449 N480
• Binding residue (residue number reindexed from 1): R435 P437 N468
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.7.6: DNA-directed RNA polymerase.

Gene Ontology

Molecular Function

• GO:0001055 RNA polymerase II activity
• GO:0003677 DNA binding
• GO:0003899 DNA-directed 5'-3' RNA polymerase activity
• GO:0016779 nucleotidyltransferase activity
• GO:0034062 5'-3' RNA polymerase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006351 DNA-templated transcription
• GO:0006366 transcription by RNA polymerase II

Cellular Component

• GO:0000428 DNA-directed RNA polymerase complex
• GO:0005634 nucleus
• GO:0005665 RNA polymerase II, core complex

External links

• PDB: RCSB:5xog, PDBe:5xog, PDBj:5xog
• PDBsum: 5xog
• PubMed: 28775211
• UniProt: C4R4Y0