Structure of PDB 8g2g Chain A Binding Site BS01

Receptor Information
>8g2g Chain A (length=315) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DGVYFSSYGHYGIHEEMLKDKIRTESYRDFIYQNPHIFKDKVVLDVGCGT
GILSMFAAKAGAKKVLGVDQSEILYQAMDIIRLNKLEDTITLIKGKIEEV
HLPVEKVDVIISEWMGYFLLFESMLDSVLYAKNKYLAKGGSVYPDICTIS
LVAVSDVNKHADRIAFWDDVYGFKMSCMKKAVIPEAVVEVLDPKTLISEP
CGIKHIDCHTTSISDLEFSSDFTLKITRTSMCTAIAGYFDIYFEKNCHNR
VVFSTGPQSTKTHWKQTVFLLEKPFSVKAGEALKGKVTVHKNKKDPRSLT
VTLTLNNSTQTYGLQ
Ligand information
Ligand IDYVU
InChIInChI=1S/C20H25N7O4S/c21-17-14-18(25-10-24-17)27(11-26-14)19-16(29)15(28)13(31-19)9-32-7-6-22-20(30)23-8-12-4-2-1-3-5-12/h1-5,10-11,13,15-16,19,28-29H,6-9H2,(H2,21,24,25)(H2,22,23,30)/t13-,15-,16-,19-/m1/s1
InChIKeyUTFOOFWJWOBJJY-NVQRDWNXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CNC(=O)NCCSC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O
CACTVS 3.385Nc1ncnc2n(cnc12)[CH]3O[CH](CSCCNC(=O)NCc4ccccc4)[CH](O)[CH]3O
ACDLabs 12.01Nc1ncnc2c1ncn2C1OC(CSCCNC(=O)NCc2ccccc2)C(O)C1O
OpenEye OEToolkits 2.0.7c1ccc(cc1)CNC(=O)NCCSCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O
CACTVS 3.385Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CSCCNC(=O)NCc4ccccc4)[C@@H](O)[C@H]3O
FormulaC20 H25 N7 O4 S
Name5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine
ChEMBL
DrugBank
ZINC
PDB chain8g2g Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8g2g Crystal structure of PRMT3 with compound YD1113
Resolution2.02 Å
Binding residue
(original residue number in PDB)		F221 Y224 M233 R239 T240 Y243 G263 C264 I268 L269 D285 Q286 K312 I313 E314 E329 M340 S343
Binding residue
(residue number reindexed from 1)		F5 Y8 M17 R23 T24 Y27 G47 C48 I52 L53 D69 Q70 K96 I97 E98 E113 M124 S127
Annotation score2
Enzymatic activity
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8g2g, PDBe:8g2g, PDBj:8g2g
PDBsum8g2g
PubMed38045046
UniProtO60678|ANM3_HUMAN Protein arginine N-methyltransferase 3 (Gene Name=PRMT3)

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