Structure of PDB 5r4r Chain B Binding Site BS02

Receptor Information

>5r4r Chain B (length=197) Species: 9606 (Homo sapiens)

SMLERTINLYPLTNYTFGTKEPLYEKDSSVAARFQRMREEFDKIGMRRTV
EGVLIVHEHRLPHVLLLQLGTTFFKLPGGELNPGEDEVEGLKRLMTEILG
RQDGVLQDWVIDDCIGNWWRPNFEPPQYPYIPAHITKPKEHKKLFLVQLQ
EKALFAVPKNYKLVAAPLFELYDNAPGYGPIISSLPQLLSRFNFIYN

Ligand information

• Ligand ID: RWA
• InChI: InChI=1S/C16H18N4O2/c1-15(2)13(21)16(3,17-14(15)22)9-11-10-20(19-18-11)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,17,22)/t16-/m1/s1
• InChIKey: ZHXFDNRJCWLCGX-MRXNPFEDSA-N
• SMILES:
  ACDLabs 12.01: n3n(c1ccccc1)cc(CC2(NC(=O)C(C2=O)(C)C)C)n3
  CACTVS 3.385: C[C@]1(Cc2cn(nn2)c3ccccc3)NC(=O)C(C)(C)C1=O
  CACTVS 3.385: C[C]1(Cc2cn(nn2)c3ccccc3)NC(=O)C(C)(C)C1=O
  OpenEye OEToolkits 2.0.6: CC1(C(=O)C(NC1=O)(C)Cc2cn(nn2)c3ccccc3)C
  OpenEye OEToolkits 2.0.6: C[C@]1(C(=O)C(C(=O)N1)(C)C)Cc2cn(nn2)c3ccccc3
• Formula: C16 H18 N4 O2
• Name: (5R)-3,3,5-trimethyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione
• PDB chain: 5r4r Chain B Residue 306

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5r4r PanDDA analysis group deposition
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): L53 L97 K105 G108 G109 E110 E127 I128 Y191
• Binding residue (residue number reindexed from 1): L23 L67 K75 G78 G79 E80 E97 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:5r4r, PDBe:5r4r, PDBj:5r4r
• PDBsum: 5r4r
• UniProt: O43809|CPSF5_HUMAN Cleavage and polyadenylation specificity factor subunit 5 (Gene Name=NUDT21)