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Receptor Information

>5r4t 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 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

Software	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

ChEMBL

DrugBank

ZINC

PDB chain

5r4t Chain A Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5r4t PanDDA analysis group deposition
Resolution	1.68 Å
Binding residue (original residue number in PDB)	D133 A183 L184
Binding residue (residue number reindexed from 1)	D103 A153 L154
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0003729	mRNA binding

	Biological Process
GO:0031124	mRNA 3'-end processing

	Cellular Component
GO:0005849	mRNA cleavage factor complex

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

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Structure of PDB 5r4t Chain A Binding Site BS02