Structure of PDB 4g56 Chain A Binding Site BS01

Receptor Information
>4g56 Chain A (length=617) Species: 8355 (Xenopus laevis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVSSGRDVACVTEVADTLGAMANQGFDFLCMPIFHPRFKREFYKEPAKSR
PGPQTRSDLLLSGRDWNTLIVGKLSDWIKTDSEVSRIRKTSEAAMQQELN
FSAYLGLPAFLIPLKQEDNSNLSRLLINHIHVGHHSTMFWMRVPLMAPND
LRDDLIENEPGEERTWIWWHNFRSLCDYNKKIALAIEIGADLPSGHVIDR
WLGEPIKAAFLPTSIFLTNKKGFPVLTKVHQRLIFKLFKLEVQFVISGSH
HHSEKDLCSYLQYLEYLSQNSPPPNAYEMFAKGYEDYLQSPLQPLMDNLE
SQTYEVFEKDPVKYSQYQQAVYKCLLDRVPEEEKETNIQILMVLGAGRGP
LVNASLRAAKQAERKIKVYAVEKNPNAVITLEGWRYEEWGSQVTVVSGDM
REWKAPEKADIIVSELLGSFGDNELSPECLDGAQHFLKDDGVSIPGEYTS
YLAPISSSKLYNEVRACREKDRDPEAQFEMPYVVRLHNFHQLSDPLPCFT
FHHPNKDDVIDNNRYCCLQYRVDLNTVLHGFAGYFNTVLYKDVTLSICPE
SHSPGMFSWFPILFPIKQPIPMREGDTVCVRFWRCNNGKKVWYEWAVTSP
VCSAIHNPTGRSYTIGL
Ligand information
Ligand IDSAH
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N
CACTVS 3.341N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N
FormulaC14 H20 N6 O5 S
NameS-ADENOSYL-L-HOMOCYSTEINE
ChEMBLCHEMBL418052
DrugBankDB01752
ZINCZINC000004228232
PDB chain4g56 Chain A Residue 701 [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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PDB4g56 Structure of the arginine methyltransferase PRMT5-MEP50 reveals a mechanism for substrate specificity
Resolution2.95 Å
Binding residue
(original residue number in PDB)		L311 Y320 F323 G361 E388 K389 D415 M416 E431 L432 L433 E440 C445 W575
Binding residue
(residue number reindexed from 1)		L295 Y304 F307 G345 E372 K373 D399 M400 E415 L416 L417 E424 C429 W559
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.320: type II protein arginine methyltransferase.
Gene Ontology
Molecular Function
GO:0003714 transcription corepressor activity
GO:0005515 protein binding
GO:0008168 methyltransferase activity
GO:0008469 histone arginine N-methyltransferase activity
GO:0016274 protein-arginine N-methyltransferase activity
GO:0035243 protein-arginine omega-N symmetric methyltransferase activity
GO:0044020 histone H4R3 methyltransferase activity
GO:0070612 histone H2AR3 methyltransferase activity
GO:0070888 E-box binding
Biological Process
GO:0006325 chromatin organization
GO:0006338 chromatin remodeling
GO:0006355 regulation of DNA-templated transcription
GO:0006479 protein methylation
GO:0007088 regulation of mitotic nuclear division
GO:0018216 peptidyl-arginine methylation
GO:0032259 methylation
GO:0032922 circadian regulation of gene expression
GO:0033314 mitotic DNA replication checkpoint signaling
GO:0035246 peptidyl-arginine N-methylation
GO:0045892 negative regulation of DNA-templated transcription
GO:0048511 rhythmic process
GO:0051301 cell division
GO:0090161 Golgi ribbon formation
GO:1901800 positive regulation of proteasomal protein catabolic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005794 Golgi apparatus
GO:0005829 cytosol
GO:0034709 methylosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4g56, PDBe:4g56, PDBj:4g56
PDBsum4g56
PubMed23451136
UniProtQ6NUA1|ANM5_XENLA Protein arginine N-methyltransferase 5 (Gene Name=prmt5)

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