Structure of PDB 7sec Chain A Binding Site BS01

Receptor Information
>7sec Chain A (length=227) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VMVEPHRHEGVFICALVTKNLVPGESVYGEKRVSISEGDDKIEYRAWNPF
RSKLAAAILGGVDQIHIKPGAKVLYLGAASGTTVSHVSDIVGPDGLVYAV
EFSHRSGRDLINLAKKRTNIIPVIEDARHPHKYRMLIAMVDVIFADVAQP
DQTRIVALNAHTFLRNGGHFVISIKANCIDSTASAEAVFASEVKKMQQEN
MKPQEQLTLEPYERDHAVVVGVYRPPP
Ligand information
Ligand ID8WP
InChIInChI=1S/C9H7F3N4O2/c10-9(11,12)6-2-5-8(18)14-4(1-7(13)17)3-16(5)15-6/h2-3H,1H2,(H2,13,17)(H,14,18)
InChIKeyNUSDSBLRWBKVLY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c2n(nc1C(F)(F)F)C=C(NC2=O)CC(=O)N
ACDLabs 12.01
CACTVS 3.385		NC(=O)CC1=Cn2nc(cc2C(=O)N1)C(F)(F)F
FormulaC9 H7 F3 N4 O2
Name2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide
ChEMBL
DrugBank
ZINC
PDB chain7sec Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7sec Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		G167 E191 F192 Q242
Binding residue
(residue number reindexed from 1)		G77 E101 F102 Q152
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.-
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0008168 methyltransferase activity
Biological Process
GO:0006364 rRNA processing

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:7sec, PDBe:7sec, PDBj:7sec
PDBsum7sec
PubMed35056083
UniProtP22087|FBRL_HUMAN rRNA 2'-O-methyltransferase fibrillarin (Gene Name=FBL)

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