Structure of PDB 3ua3 Chain B Binding Site BS01

Receptor Information
>3ua3 Chain B (length=651) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AANSRIHIGWMATTLDVAENLDRHVATFCTRLGEFKYNFVVYPIGGVVRA
FWTPNGSAENHPPVIDLPDVQLRNDLWESYVVGKISPWIDCDSSDPAFAS
LSEEHLLKELSYICYLGLQTMAIELTRISSPRTAAILKKWIWTRNSRFTV
WVQLPSAIEKCKDYDAFTIEHVDLWTIWADFRKNCGNFSGVYFQVALTIS
SELPDELTELKLVDRWKAEPLAAFVIESGLFASIPSAHINLLKHLWTTDA
LRIVLRATTDTFKYNTSIKSEYSQALRHAVLQAPLQPLSENLDSGVYNTF
EQDQIKYDVYGEAVVGALKDLGADGRKTVVIYLLGGGRGPIGTKILKSER
EYNNTFRSLKVKLYIVEKNPNAIVTLKYMNVRTWKRRVTIIESDMRSLPG
IAKDRGFEQPDIIVSELLGSFGDNELSPECLDGVTGFLKPTTISIPQKYT
SYVKPIMSTHIHQTIKAQSIPYLSRAIPSHGRGEPELDEDEMWIQKYPQG
HVRNNMDQIYVVYLSKYIPLAETTKPVFTFEHPNFMNSSNERSDSIEFVM
DRNADLMGFAGYFDLQLYKTVMLSIEPSTHTPGMVSWFPAVIPLRDQLRV
GEGDRISLKIDRKVDNTGVWYEWHVEKKKTNGESVSTPIQNPNGESYYMR
M
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 chain3ua3 Chain B Residue 743 [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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PDB3ua3 Structural insights into protein arginine symmetric dimethylation by PRMT5
Resolution3.0 Å
Binding residue
(original residue number in PDB)		P366 Y376 Y386 G414 G415 G416 E450 K451 D477 M478 E499 L500
Binding residue
(residue number reindexed from 1)		P287 Y297 Y307 G335 G336 G337 E367 K368 D394 M395 E416 L417
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.320: type II protein arginine methyltransferase.
Gene Ontology
Molecular Function
GO:0002039 p53 binding
GO:0008168 methyltransferase activity
GO:0008469 histone arginine N-methyltransferase activity
GO:0016274 protein-arginine N-methyltransferase activity
GO:0035241 protein-arginine omega-N monomethyltransferase activity
GO:0035243 protein-arginine omega-N symmetric methyltransferase activity
GO:0044020 histone H4R3 methyltransferase activity
GO:0140297 DNA-binding transcription factor binding
GO:0140940 histone H2A methyltransferase activity
Biological Process
GO:0006325 chromatin organization
GO:0006338 chromatin remodeling
GO:0006355 regulation of DNA-templated transcription
GO:0006479 protein methylation
GO:0006915 apoptotic process
GO:0006974 DNA damage response
GO:0007626 locomotory behavior
GO:0008630 intrinsic apoptotic signaling pathway in response to DNA damage
GO:0018216 peptidyl-arginine methylation
GO:0032259 methylation
GO:0035246 peptidyl-arginine N-methylation
GO:0043518 negative regulation of DNA damage response, signal transduction by p53 class mediator
GO:0045892 negative regulation of DNA-templated transcription
GO:1990834 response to odorant
Cellular Component
GO:0005634 nucleus
GO:0005829 cytosol
GO:0017053 transcription repressor complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ua3, PDBe:3ua3, PDBj:3ua3
PDBsum3ua3
PubMed22143770
UniProtP46580|ANM5_CAEEL Protein arginine N-methyltransferase 5 (Gene Name=prmt-5)

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