Structure of PDB 7sf0 Chain A Binding Site BS01

Receptor Information

>7sf0 Chain A (length=209) Species: 696871 (Vaccinia virus Western Reserve)

TMDEEVIFETPRELISIKRIKDIPRSKDTHVFAACITSDGYPLIGARRTS
FAFQAILSQQNSDSIFRVSTKLLRFMYYNELREIFRRLRKGSINNIDPHF
EELILLGGKLDKKESIKDCLRRELKEESDERITVKEFGNVILKLTTRDKL
FNKVYIGYCMACFINQSLEDLSHTSIYNVEIRKIKSLNDCINDDKYEYLS
YIYNMLVNS

Ligand information

• Ligand ID: 8NK
• InChI: InChI=1S/C11H17N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H5-,12,13,14,19,20,21,22,23,24)/p+1/t4-,6-,7-,10-/m1/s1
• InChIKey: SBASPRRECYVBRF-KQYNXXCUSA-O
• SMILES:
  OpenEye OEToolkits 2.0.6: C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O
  OpenEye OEToolkits 2.0.6: C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O
  CACTVS 3.385: C[n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O)c3N=C(N)NC(=O)c13
  CACTVS 3.385: C[n+]1cn([C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O)c3N=C(N)NC(=O)c13
• Formula: C11 H18 N5 O11 P2
• Name: 7-methylguanosine 5'-diphosphate
• ZINC: ZINC000015521877
• PDB chain: 7sf0 Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7sf0 Structure of the poxvirus decapping enzyme D9 reveals its mechanism of cap recognition and catalysis.
• Resolution: 1.95 Å
• Binding residue (original residue number in PDB): E16 H33 R50 F54 D151 Y158
• Binding residue (residue number reindexed from 1): E13 H30 R47 F51 D148 Y155
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.1.3.-

Gene Ontology

Molecular Function

• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

External links

• PDB: RCSB:7sf0, PDBe:7sf0, PDBj:7sf0
• PDBsum: 7sf0
• PubMed: 35290794
• UniProt: P04311|PG121_VACCW mRNA-decapping protein OPG121 (Gene Name=OPG121)