Structure of PDB 5r4p Chain A Binding Site BS01

Receptor Information
>5r4p Chain A (length=197) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SMLERTINLYPLTNYTFGTKEPLYEKDSSVAARFQRMREEFDKIGMRRTV
EGVLIVHEHRLPHVLLLQLGTTFFKLPGGELNPGEDEVEGLKRLMTEILG
RQDGVLQDWVIDDCIGNWWRPNFEPPQYPYIPAHITKPKEHKKLFLVQLQ
EKALFAVPKNYKLVAAPLFELYDNAPGYGPIISSLPQLLSRFNFIYN
Ligand information
Ligand IDRVY
InChIInChI=1S/C14H14N4O2/c1-14(12(19)7-13(20)15-14)8-10-9-18(17-16-10)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H,15,20)/t14-/m0/s1
InChIKeyJRHLMUQJOCQPQH-AWEZNQCLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6C[C@@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccccc3
ACDLabs 12.01n2(c1ccccc1)cc(nn2)CC3(C(CC(N3)=O)=O)C
CACTVS 3.385C[C]1(Cc2cn(nn2)c3ccccc3)NC(=O)CC1=O
CACTVS 3.385C[C@@]1(Cc2cn(nn2)c3ccccc3)NC(=O)CC1=O
OpenEye OEToolkits 2.0.6CC1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccccc3
FormulaC14 H14 N4 O2
Name(5S)-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione
ChEMBL
DrugBank
ZINC
PDB chain5r4p Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5r4p PanDDA analysis group deposition
Resolution1.78 Å
Binding residue
(original residue number in PDB)		E55 K56 G108 G109 E110 I128 Y191
Binding residue
(residue number reindexed from 1)		E25 K26 G78 G79 E80 I98 Y161
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0031124 mRNA 3'-end processing
Cellular Component
GO:0005849 mRNA cleavage factor complex

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Molecular Function
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Cellular Component
External links
PDB RCSB:5r4p, PDBe:5r4p, PDBj:5r4p
PDBsum5r4p
PubMed
UniProtO43809|CPSF5_HUMAN Cleavage and polyadenylation specificity factor subunit 5 (Gene Name=NUDT21)

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