Structure of PDB 5r4t Chain A Binding Site BS01

Receptor Information

>5r4t Chain A (length=197) Species: 9606 (Homo sapiens)

SMLERTINLYPLTNYTFGTKEPLYEKDSSVAARFQRMREEFDKIGMRRTV
EGVLIVHEHRLPHVLLLQLGTTFFKLPGGELNPGEDEVEGLKRLMTEILG
RQDGVLQDWVIDDCIGNWWRPNFEPPQYPYIPAHITKPKEHKKLFLVQLQ
EKALFAVPKNYKLVAAPLFELYDNAPGYGPIISSLPQLLSRFNFIYN

Ligand information

• Ligand ID: RWG
• InChI: InChI=1S/C14H13FN4O2/c1-14(12(20)6-13(21)16-14)7-10-8-19(18-17-10)11-4-2-9(15)3-5-11/h2-5,8H,6-7H2,1H3,(H,16,21)/t14-/m1/s1
• InChIKey: UUBOMXRWPFJYHC-CQSZACIVSA-N
• SMILES:
  OpenEye OEToolkits 2.0.6: C[C@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccc(cc3)F
  CACTVS 3.385: C[C@]1(Cc2cn(nn2)c3ccc(F)cc3)NC(=O)CC1=O
  CACTVS 3.385: C[C]1(Cc2cn(nn2)c3ccc(F)cc3)NC(=O)CC1=O
  ACDLabs 12.01: n2nn(c1ccc(F)cc1)cc2CC3(C)NC(=O)CC3=O
  OpenEye OEToolkits 2.0.6: CC1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccc(cc3)F
• Formula: C14 H13 F N4 O2
• Name: (5R)-5-{[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methylpyrrolidine-2,4-dione
• PDB chain: 5r4t Chain A Residue 305

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5r4t PanDDA analysis group deposition
• Resolution: 1.68 Å
• Binding residue (original residue number in PDB): E55 K56 L97 K105 G108 I128 Y191
• Binding residue (residue number reindexed from 1): E25 K26 L67 K75 G78 I98 Y161
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003729 mRNA binding

Biological Process

• GO:0031124 mRNA 3'-end processing

Cellular Component

• GO:0005849 mRNA cleavage factor complex

External links

• PDB: RCSB:5r4t, PDBe:5r4t, PDBj:5r4t
• PDBsum: 5r4t
• UniProt: O43809|CPSF5_HUMAN Cleavage and polyadenylation specificity factor subunit 5 (Gene Name=NUDT21)