Structure of PDB 1twg Chain B Binding Site BS02

Receptor Information

>1twg Chain B (length=1091) Species: 4932 (Saccharomyces cerevisiae)

FEDESAPITAEDSWAVISAFFREKGLVSQQLDSFNQFVDYTLQDIICEDS
TLIEISFGKIYVTKPMVNESDGVTHALYPQEARLRNLTYSSGLFVDVKKR
TYEKVFIGRLPIMLRSKNCYLSEATESDLYKLKECPFDMGGYFIINGSEK
VLIAQERSAGNIVQVFKKAAPSPISHVAEIRSALEKGSRFISTLQVKLYG
REGSSARTIKATLPYIKQDIPIVIIFRALGIIPDGEILEHICYDVNDWQM
LEMLKPCVEDGFVIQDRETALDFIGRRGTALGIKKEKRIQYAKDILQKEF
LPHITQLEGFESRKAFFLGYMINRLLLCALDRKDQDDRDHFGKKRLDLAG
PLLAQLFKTLFKKLTKDIFRYMQRTVELAINAKTITSGLKYALATGNWGA
GVSQVLNRYTYSSTLSHLRRTNTPIAKPRQLHNTHWGLVCPAETPEGQAC
GLVKNLSLMSCISVGTDPMPIITFLSEWGMEPLEDYVPHQSPDATRVFVN
GVWHGVHRNPARLMETLRTLRRKGDINPEVSMIRDIREKELKIFTDAGRV
YRPLFIVEDDESLGHKELKVRKGHIAKLMATEYQDEYTWSSLLNEGLVEY
IDAEEEESILIAMQPEDLEPDVDPAKRIRVSHHATTFTHCEIHPSMILGV
AASIIPFPDHNQSPRNTYQSAMGKQAMGVFLTNYNVRMDTMANILYYPQK
PLGTTRAMEYLKFRELPAGQNAIVAIACYSGYNQEDSMIMNQSSIDRGLF
RSLFFRSYMDQEKKYGMSITETFEKPQRTNTLRMKHGTYDKLDDDGLIAP
GVRVSGEDVIIGKTTSKRDASTPLRSTENGIVDQVLVTTNQDGLKFVKVR
VRTTKIPQIGDKFASRHGQKGTIGITYRREDMPFTAEGIVPDLIINPHAI
PSRMTVAHLIECLLSKVAALSGNEGDASPFTDITVEGISKLLREHGYQSR
GFEVMYNGHTGKKLMAQIFFGPTYYQRLRHMVDDKIHARARGPGLRFGEM
ERDCMIAHGAASFLKERLMEASDAFRVHICGICGLMTVIAKLNHNQFECK
GCDNKIDIYQIHIPYAAKLLFQELMAMNITPRLYTDRSRDF

Ligand information

• Ligand ID: CTP
• InChI: InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
• InChIKey: PCDQPRRSZKQHHS-XVFCMESISA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
  OpenEye OEToolkits 1.5.0: C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O
  CACTVS 3.341: NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O
  ACDLabs 10.04: O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
  CACTVS 3.341: NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O
• Formula: C9 H16 N3 O14 P3
• Name: CYTIDINE-5'-TRIPHOSPHATE
• ChEMBL: CHEMBL223533
• DrugBank: DB02431
• ZINC: ZINC000003861746
• PDB chain: 1twg Chain B Residue 3008

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1twg Structural basis of transcription: nucleotide selection by rotation in the RNA polymerase II active center.
• Resolution: 3.3 Å
• Binding residue (original residue number in PDB): R766 Q986 K987
• Binding residue (residue number reindexed from 1): R665 Q869 K870
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D837
• Catalytic site (residue number reindexed from 1): D736
• 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:0003729 mRNA binding
• GO:0003899 DNA-directed 5'-3' RNA polymerase activity
• GO:0003968 RNA-dependent RNA polymerase activity
• GO:0005515 protein binding
• GO:0008270 zinc ion binding
• GO:0016779 nucleotidyltransferase activity
• GO:0032549 ribonucleoside binding
• GO:0034062 5'-3' RNA polymerase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0001172 RNA-templated transcription
• GO:0006351 DNA-templated transcription
• GO:0006366 transcription by RNA polymerase II
• GO:0006367 transcription initiation at RNA polymerase II promoter
• GO:0006368 transcription elongation by RNA polymerase II

Cellular Component

• GO:0000428 DNA-directed RNA polymerase complex
• GO:0005634 nucleus
• GO:0005654 nucleoplasm
• GO:0005665 RNA polymerase II, core complex
• GO:0005739 mitochondrion
• GO:0010494 cytoplasmic stress granule

External links

• PDB: RCSB:1twg, PDBe:1twg, PDBj:1twg
• PDBsum: 1twg
• PubMed: 15537538
• UniProt: P08518|RPB2_YEAST DNA-directed RNA polymerase II subunit RPB2 (Gene Name=RPB2)