Structure of PDB 4m37 Chain A Binding Site BS01

Receptor Information
>4m37 Chain A (length=337) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPPDAFVNRIDRNIPVPARLRHTPVSLIEAVNDFHYAMMNDEERNNFYYE
VLKKHVTPETGVLEIGAGSGLLSLMAAKLGAKWVVAVEGSEELAKLAREN
IRANNMEHQVKVLHMMSTELKSKHLPEPPDVLLSEIFGTMMLGESALDYV
VDVRNRLLKPTTKIIPQFGTQYAVPIECDALHRISSVSGWRDLDLKHMMT
LQDTVSIVFAKHYGIRMNSVNFRRLSDPIELFRVDFSSSNRNDIPRRKHF
DVVAKESGTAHAMLFYWKVTDDEFVMSTDPEDTVNNFPRDMQWGQALQLL
DASNGPLPTPVVFTEGKNYNFECNFSGDRVILHMQLC
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 chain4m37 Chain A Residue 401 [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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PDB4m37 Structural determinants for the strict monomethylation activity by trypanosoma brucei protein arginine methyltransferase 7.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		M75 R81 E101 G103 A104 G105 L109 E125 G126 M153 S154 Y186
Binding residue
(residue number reindexed from 1)		M38 R44 E64 G66 A67 G68 L72 E88 G89 M116 S117 Y149
Annotation score4
Enzymatic activity
Enzyme Commision number 2.1.1.-
Gene Ontology
Molecular Function
GO:0016274 protein-arginine N-methyltransferase activity
Biological Process
GO:0018216 peptidyl-arginine methylation

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4m37, PDBe:4m37, PDBj:4m37
PDBsum4m37
PubMed24726341
UniProtQ582G4|ANM7_TRYB2 Protein arginine N-methyltransferase 7 (Gene Name=PRMT7)

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