Structure of PDB 4x3m Chain B Binding Site BS01

Receptor Information

>4x3m Chain B (length=260) Species: 300852 (Thermus thermophilus HB8)

MRIESPQNPRVKALAALKERKERERTGRFLVEGRREVERALEAGLSLETL
LLGPKARPEDRALAGGAEVLELSERALARVSTRENPAQVLGVFRLPRRSL
AGVTLGAAPLVLVLLGLEKPGNLGAILRAADGAGADLVLVAEGVDLFSPQ
VIRNSTGAVFALPVYPVAEGEAARFLEEHNLPLVAATPEGERLYWEGDYR
GGVAFLLGAEDKGLPEAWKRRAQVRVRIPMRGRADSLNVAVTAALLLYEA
LRQRSGGAPL

Ligand information

• Ligand ID: ADN
• InChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
• InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N
• SMILES:
  CACTVS 3.341: Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
  ACDLabs 10.04: n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
  CACTVS 3.341: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N
• Formula: C10 H13 N5 O4
• Name: ADENOSINE
• ChEMBL: CHEMBL477
• DrugBank: DB00640
• ZINC: ZINC000002169830
• PDB chain: 4x3m Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4x3m Crystal Structure of TTHA0275 from Thermus thermophilus (HB8)
• Resolution: 1.851 Å
• Binding residue (original residue number in PDB): T187 P188 L207 G208 R227 I228 M230 S236 L237 V239 T242
• Binding residue (residue number reindexed from 1): T187 P188 L207 G208 R227 I228 M230 S236 L237 V239 T242
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0003723 RNA binding
• GO:0008168 methyltransferase activity
• GO:0008173 RNA methyltransferase activity

Biological Process

• GO:0006396 RNA processing
• GO:0032259 methylation

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4x3m, PDBe:4x3m, PDBj:4x3m
• PDBsum: 4x3m
• UniProt: Q5SLL8