Structure of PDB 5jmq Chain A Binding Site BS02

Receptor Information
>5jmq Chain A (length=339) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTWQDEEYFDSYGTLKLHLEMLADQPRTTKYHSVILQNKESLKDKVILDV
GCGTGIISLFCAHHARPKAVYAVEASDMAQHTSQLVLQNGFADTITVFQQ
KVEDVVLPEKVDVLVSEWMGTCLLFEFMIESILYARDTWLKGDGIIWPTT
AALHLVPCSAEKDYHSKVLFWDNAYEFNLSALKSLAIKEFFSRPKSNHIL
KPEDCLSEPCTILQLDMRTVQVPDLETMRGELRFDIQKAGTLHGFTAWFS
VYFQSLEEGQPQQVLSTGPLHPTTHWKQTLFMMDDPVPVHTGDVVTGSVV
LQRNPVWRRHMSVSLSWVVTSALDPTSQRVGEKVFPIWW
Ligand information
Ligand ID6LC
InChIInChI=1S/C13H18N8O3/c14-10-7-11(19-4-18-10)21(5-20-7)12-9(23)8(22)6(24-12)2-1-3-17-13(15)16/h1-2,4-6,8-9,12,22-23H,3H2,(H2,14,18,19)(H4,15,16,17)/b2-1+/t6-,8-,9-,12-/m1/s1
InChIKeyFHVPFJNCKGYEAI-PVCWFOJLSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1nc(c2c(n1)n(cn2)C3C(C(C(O3)C=CCNC(=N)N)O)O)N
CACTVS 3.385NC(=N)NCC=C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
ACDLabs 12.01C(CN/C(N)=N)=[C@H]C1C(O)C(O)C(O1)n2cnc3c2ncnc3N
OpenEye OEToolkits 2.0.4[H]/N=C(/N)\NC/C=C/[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.385NC(=N)NC\C=C\[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
FormulaC13 H18 N8 O3
Name9-[(5E)-7-carbamimidamido-5,6,7-trideoxy-beta-D-ribo-hept-5-enofuranosyl]-9H-purin-6-amine
ChEMBL
DrugBank
ZINC
PDB chain5jmq Chain A Residue 508 [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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PDB5jmq Structural studies of protein arginine methyltransferase 2 reveal its interactions with potential substrates and inhibitors.
Resolution1.795 Å
Binding residue
(original residue number in PDB)		Y114 F115 Y118 M127 G157 E180 A181 K207 V208 E209 E223 M234 S237 H381
Binding residue
(residue number reindexed from 1)		Y8 F9 Y12 M21 G51 E74 A75 K101 V102 E103 E117 M128 S131 H275
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D130 E223 E232 H381
Catalytic site (residue number reindexed from 1) D24 E117 E126 H275
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0016274 protein-arginine N-methyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0018216 peptidyl-arginine methylation
GO:0032259 methylation

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5jmq, PDBe:5jmq, PDBj:5jmq
PDBsum5jmq
PubMed27879050
UniProtQ3UKX1

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