Structure of PDB 5lgr Chain C Binding Site BS03

Receptor Information

>5lgr Chain C (length=344) Species: 10090 (Mus musculus)

RSVFSERTEESSAVQYFQFYGYLSQQQNMMQDYVRTGTYQRAILQNHTDF
KDKIVLDVGCGSGILSFFAAQAGARKIYAVEASTMAQHAEVLVKSNNLTD
RIVVIPGKVEEVSLPEQVDIIISEPMGYMLFNERMLESYLHAKKYLKPSG
NMFPTIGDVHLAPFTDEQLYMEQFTKANFWYQPSFHGVDLSALRGAAVDE
YFRQPVVDTFDIRILMAKSVKYTVNFLEAKEGDLHRIEIPFKFHMLHSGL
VHGLAFWFDVAFIGSIMTVWLSTAPTEPLTHWYQVRCLFQSPLFAKAGDT
LSGTCLLIANKRQSYDISIVAQVDQTGSKSSNLLDLKNPFFRYT

Ligand information

• Ligand ID: LPD
• InChI: InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1
• InChIKey: VLJNHYLEOZPXFW-BYPYZUCNSA-N
• SMILES:
  CACTVS 3.341: NC(=O)[CH]1CCCN1
  CACTVS 3.341: NC(=O)[C@@H]1CCCN1
  OpenEye OEToolkits 1.5.0: C1CC(NC1)C(=O)N
  OpenEye OEToolkits 1.5.0: C1C[C@H](NC1)C(=O)N
  ACDLabs 10.04: O=C(N)C1NCCC1
• Formula: C5 H10 N2 O
• Name: L-PROLINAMIDE
• ChEMBL: CHEMBL1222059
• ZINC: ZINC000000391898
• PDB chain: 5lgr Chain G Residue 101

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5lgr Transition state mimics are valuable mechanistic probes for structural studies with the arginine methyltransferase CARM1.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): L413 T414 Y417
• Binding residue (residue number reindexed from 1): L279 T280 Y283
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D166 E258 E267 H415
• Catalytic site (residue number reindexed from 1): D32 E124 E133 H281
• 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

External links

• PDB: RCSB:5lgr, PDBe:5lgr, PDBj:5lgr
• PDBsum: 5lgr
• PubMed: 28330993
• UniProt: Q9WVG6|CARM1_MOUSE Histone-arginine methyltransferase CARM1 (Gene Name=Carm1)