Structure of PDB 7zvl Chain A Binding Site BS01
Receptor Information
>7zvl Chain A (length=625) Species:
9606
(Homo sapiens) [
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RVSSGRDLNCVPEIADTLGAVAKQGFDFLCMPVFHPRFKREFIQEPAKNR
PGPQTRSDLLLSGRDWNTLIVGKLSPWIRPDSKVEKIRRNSEAAMLQELN
FGAYLGLPAFLLPLNQEDNTNLARVLTNHIHTGHHSSMFWMRVPLVAPED
LRDDIIENAPTTHTEEYSGEEKTWMWWHNFRTLCDYSKRIAVALEIGADL
PSNHVIDRWLGEPIKAAILPTSIFLTNKKGFPVLSKMHQRLIFRLLKLEV
QFIITGTNHHSEKEFCSYLQYLEYLSQNRPPPNAYELFAKGYEDYLQSPL
QPLMDNLESQTYEVFEKDPIKYSQYQQAIYKCLLDRVPEEEKDTNVQVLM
VLGAGRGPLVNASLRAAKQADRRIKLYAVEKNPNAVVTLENWQFEEWGSQ
VTVVSSDMREWVAPEKADIIVSELLGSFADNELSPECLDGAQHFLKDDGV
SIPGEYTSFLAPISSSKLYNEVRACREKDRDPEAQFEMPYVVRLHNFHQL
SAPQPCFTFSHPNRDPMIDNNRYCTLEFPVEVNTVLHGFAGYFETVLYQD
ITLSIRPETHSPGMFSWFPILFPIKQPITVREGQTICVRFWRCSNSKKVW
YEWAVTAPVCSAIHNPTGRSYTIGL
Ligand information
Ligand ID
MTA
InChI
InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKey
WUUGFSXJNOTRMR-IOSLPCCCSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
CSCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341
CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
ACDLabs 10.04
n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSC)N
CACTVS 3.341
CSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0
CSC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
Formula
C11 H15 N5 O3 S
Name
5'-DEOXY-5'-METHYLTHIOADENOSINE
ChEMBL
CHEMBL277041
DrugBank
DB02282
ZINC
ZINC000004228245
PDB chain
7zvl Chain A Residue 701 [
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Receptor-Ligand Complex Structure
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PDB
7zvl
Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Resolution
2.39 Å
Binding residue
(original residue number in PDB)
L315 Y324 F327 G365 E392 K393 D419 M420 E435
Binding residue
(residue number reindexed from 1)
L303 Y312 F315 G353 E380 K381 D407 M408 E423
Annotation score
3
Enzymatic activity
Enzyme Commision number
2.1.1.320
: type II protein arginine methyltransferase.
Gene Ontology
Molecular Function
GO:0002039
p53 binding
GO:0003714
transcription corepressor activity
GO:0005515
protein binding
GO:0008168
methyltransferase activity
GO:0008327
methyl-CpG binding
GO:0008469
histone arginine N-methyltransferase activity
GO:0016274
protein-arginine N-methyltransferase activity
GO:0035243
protein-arginine omega-N symmetric methyltransferase activity
GO:0042054
histone methyltransferase activity
GO:0042802
identical protein binding
GO:0043021
ribonucleoprotein complex binding
GO:0044020
histone H4R3 methyltransferase activity
GO:0044877
protein-containing complex binding
GO:0046982
protein heterodimerization activity
GO:0070888
E-box binding
GO:0140938
histone H3 methyltransferase activity
Biological Process
GO:0000387
spliceosomal snRNP assembly
GO:0006325
chromatin organization
GO:0006338
chromatin remodeling
GO:0006353
DNA-templated transcription termination
GO:0006355
regulation of DNA-templated transcription
GO:0006479
protein methylation
GO:0007088
regulation of mitotic nuclear division
GO:0010468
regulation of gene expression
GO:0018216
peptidyl-arginine methylation
GO:0032259
methylation
GO:0032922
circadian regulation of gene expression
GO:0035246
peptidyl-arginine N-methylation
GO:0042118
endothelial cell activation
GO:0044027
negative regulation of gene expression via chromosomal CpG island methylation
GO:0045596
negative regulation of cell differentiation
GO:0045892
negative regulation of DNA-templated transcription
GO:0048026
positive regulation of mRNA splicing, via spliceosome
GO:0048511
rhythmic process
GO:0048714
positive regulation of oligodendrocyte differentiation
GO:0070372
regulation of ERK1 and ERK2 cascade
GO:0090161
Golgi ribbon formation
GO:0097421
liver regeneration
GO:1901796
regulation of signal transduction by p53 class mediator
GO:1904992
positive regulation of adenylate cyclase-inhibiting dopamine receptor signaling pathway
Cellular Component
GO:0000785
chromatin
GO:0005634
nucleus
GO:0005654
nucleoplasm
GO:0005694
chromosome
GO:0005737
cytoplasm
GO:0005794
Golgi apparatus
GO:0005829
cytosol
GO:0032991
protein-containing complex
GO:0034709
methylosome
GO:0035097
histone methyltransferase complex
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:7zvl
,
PDBe:7zvl
,
PDBj:7zvl
PDBsum
7zvl
PubMed
36545438
UniProt
O14744
|ANM5_HUMAN Protein arginine N-methyltransferase 5 (Gene Name=PRMT5)
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