Structure of PDB 6dnz Chain C Binding Site BS01

Receptor Information
>6dnz Chain C (length=317) Species: 185431 (Trypanosoma brucei brucei TREU927) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DSYSHYGIHMEMLKDCHRTTSYRDAMWRNAYLFKDKVVLDVGCGTGILSM
FAAKAGARKVIGVDCSTVAVQAREIVKDNGFEDVITIIQGKVEEIQLDEK
VDIIISEWMGYFLLYESMLNTVLCARDNLGTPDVKMFPDKANMHVCGITD
EQYIQERFNIWDNVQGIDFSYFKRLSFIEPLVDTVERSQIVTNVAPLVSF
DINTVKEADLSFTSEFALEAQASIIYVHALSVHFDTPFTAGHEVVILDTT
PYSPPTHWRQTVLYLFNPLRMRAGERATFRMKCSPNALNGRDLDISLHVD
FEGALQISHYDQDFRLR
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 chain6dnz Chain C Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6dnz Structural Basis of Protein Arginine Methyltransferase Activation by a Catalytically Dead Homolog (Prozyme).
Resolution2.384 Å
Binding residue
(original residue number in PDB)		Y22 M31 R37 G61 C62 I66 L67 D83 C84 S85 K110 V111 E112 M137 T140
Binding residue
(residue number reindexed from 1)		Y3 M12 R18 G42 C43 I47 L48 D64 C65 S66 K91 V92 E93 M118 T121
Annotation score4
Enzymatic activity
Enzyme Commision number 2.1.1.-
Gene Ontology
Molecular Function
GO:0003729 mRNA binding
GO:0005515 protein binding
GO:0008168 methyltransferase activity
GO:0016273 arginine N-methyltransferase activity
GO:0016274 protein-arginine N-methyltransferase activity
GO:0042054 histone methyltransferase activity
Biological Process
GO:0006338 chromatin remodeling
GO:0009267 cellular response to starvation
GO:0018216 peptidyl-arginine methylation
GO:0019222 regulation of metabolic process
GO:0019919 peptidyl-arginine methylation, to asymmetrical-dimethyl arginine
GO:0032259 methylation
GO:0045821 positive regulation of glycolytic process
GO:2001157 negative regulation of proline catabolic process to glutamate
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6dnz, PDBe:6dnz, PDBj:6dnz
PDBsum6dnz
PubMed31726063
UniProtQ4GYA9

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