Structure of PDB 4x3l Chain A Binding Site BS01

Receptor Information

>4x3l Chain A (length=260) Species: 300852 (Thermus thermophilus HB8)

MRIESPQNPRVKALAALKERKERERTGRFLVEGRREVERALEAGLSLETL
LLGPKARPEDRALAGGAEVLELSERALARVSTRENPAQVLGVFRLPRRSL
AGVTLGAAPLVLVLLGLEKPGNLGAILRAADGAGADLVLVAEGVDLFSPQ
VIRNSTGAVFALPVYPVAEGEAARFLEEHNLPLVAATPEGERLYWEGDYR
GGVAFLLGAEDKGLPEAWKRRAQVRVRIPMRGRADSLNVAVTAALLLYEA
LRQRSGGAPL

Ligand information

• Ligand ID: MTA
• InChI: InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
• InChIKey: WUUGFSXJNOTRMR-IOSLPCCCSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
  CACTVS 3.341: CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
  ACDLabs 10.04: n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSC)N
  CACTVS 3.341: CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
  OpenEye OEToolkits 1.5.0: CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
• Formula: C11 H15 N5 O3 S
• Name: 5'-DEOXY-5'-METHYLTHIOADENOSINE
• ChEMBL: CHEMBL277041
• DrugBank: DB02282
• ZINC: ZINC000004228245
• PDB chain: 4x3l Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4x3l Crystal Structure of TTHA0275 from Thermus thermophilus (HB8)
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): A186 T187 P188 G208 E210 I228 M230 S236 L237 V239 T242
• Binding residue (residue number reindexed from 1): A186 T187 P188 G208 E210 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:4x3l, PDBe:4x3l, PDBj:4x3l
• PDBsum: 4x3l
• UniProt: Q5SLL8