Structure of PDB 5lgp Chain A Binding Site BS04

Receptor Information
>5lgp Chain A (length=343) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVFSERTEESSAVQYFQFYGYLSQQQNMMQDYVRTGTYQRAILQNHTDFK
DKIVLDVGCGSGILSFFAAQAGARKIYAVEASTMAQHAEVLVKSNNLTDR
IVVIPGKVEEVSLPEQVDIIISEPMGYMLFNERMLESYLHAKKYLKPSGN
MFPTIGDVHLAPFTDEQLYMEQFTKANFWYQPSFHGVDLSALRGAAVDEY
FRQPVVDTFDIRILMAKSVKYTVNFLEAKEGDLHRIEIPFKFHMLHSGLV
HGLAFWFDVAFIGSIMTVWLSTAPTEPLTHWYQVRCLFQSPLFAKAGDTL
SGTCLLIANKRQSYDISIVAQVDQTGSKSSNLLDLKNPFFRYT
Ligand information
Ligand IDLPD
InChIInChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1
InChIKeyVLJNHYLEOZPXFW-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC(=O)[CH]1CCCN1
CACTVS 3.341NC(=O)[C@@H]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)N
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)N
ACDLabs 10.04O=C(N)C1NCCC1
FormulaC5 H10 N2 O
NameL-PROLINAMIDE
ChEMBLCHEMBL1222059
DrugBank
ZINCZINC000000391898
PDB chain5lgp Chain E Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5lgp Transition state mimics are valuable mechanistic probes for structural studies with the arginine methyltransferase CARM1.
Resolution2.04 Å
Binding residue
(original residue number in PDB)		T414 Y417
Binding residue
(residue number reindexed from 1)		T279 Y282
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D166 E258 E267 H415
Catalytic site (residue number reindexed from 1) D31 E123 E132 H280
Enzyme Commision number 2.1.1.319: type I protein arginine methyltransferase.
Gene Ontology
Molecular Function
GO:0016274 protein-arginine N-methyltransferase activity
Biological Process
GO:0018216 peptidyl-arginine methylation

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Molecular Function
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Biological Process
External links
PDB RCSB:5lgp, PDBe:5lgp, PDBj:5lgp
PDBsum5lgp
PubMed28330993
UniProtQ9WVG6|CARM1_MOUSE Histone-arginine methyltransferase CARM1 (Gene Name=Carm1)

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