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Receptor Information

>5r4s 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

RWD

InChI

InChI=1S/C14H16N4O2/c1-14(12(19)7-13(20)15-14)8-10-9-18(17-16-10)11-5-3-2-4-6-11/h2-6,9,12,19H,7-8H2,1H3,(H,15,20)/t12-,14+/m0/s1

InChIKey

UILOQPSPJQYNHO-GXTWGEPZSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 2.0.6	C[C@]1([C@H](CC(=O)N1)O)Cc2cn(nn2)c3ccccc3
ACDLabs 12.01	n1(cc(nn1)CC2(C)NC(CC2O)=O)c3ccccc3
OpenEye OEToolkits 2.0.6	CC1(C(CC(=O)N1)O)Cc2cn(nn2)c3ccccc3
CACTVS 3.385	C[C]1(Cc2cn(nn2)c3ccccc3)NC(=O)C[CH]1O
CACTVS 3.385	C[C@]1(Cc2cn(nn2)c3ccccc3)NC(=O)C[C@@H]1O

Formula

C14 H16 N4 O2

Name

(4S,5R)-4-hydroxy-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one

ChEMBL

DrugBank

ZINC

PDB chain

5r4s Chain A Residue 301 [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	5r4s PanDDA analysis group deposition
Resolution	1.61 Å
Binding residue (original residue number in PDB)	R63 P155 P156 Q157 P210
Binding residue (residue number reindexed from 1)	R33 P125 P126 Q127 P180
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:5r4s, PDBe:5r4s, PDBj:5r4s
PDBsum	5r4s
PubMed
UniProt	O43809\|CPSF5_HUMAN Cleavage and polyadenylation specificity factor subunit 5 (Gene Name=NUDT21)

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Structure of PDB 5r4s Chain A Binding Site BS01