Structure of PDB 5g02 Chain A Binding Site BS01

Receptor Information
>5g02 Chain A (length=337) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EDAWQDDEYFGNYGTLRLHLEMLSDKPRTETYRQVILSNSAALREKVVLD
LGCGTGVISLFCALLAKPAGVYAVEASSMAEHTEELVKQNGCDGVVTVFQ
ERAENLTLPTKVDVLVSEWMGNCLLFEYMLESVLLARDRWLKKGGMMWPS
SACLTIVPCQAFSDYRQKVEFWENPYGLNFSYLQSLAQKEFLSKPKFSHH
LQPEDCLSTPADVITLDMVTIQVSDLERLKGEFTFTVEKSGMFHGFTVWF
SAHFQCLEEDGPSIELNTGPYSEITHWKQTLFMLDAPVSVEEGDIIAGSI
RLQRNPIWRRHLSITFLWNINSTEVSTVKTKCFPMWR
Ligand information
Ligand IDSFG
InChIInChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1
InChIKeyLMXOHSDXUQEUSF-YECHIGJVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CC(CCC(C(=O)O)N)N)O)O)N
CACTVS 3.370N[CH](CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
CACTVS 3.370N[C@@H](CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
ACDLabs 12.01O=C(O)C(N)CCC(N)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC15 H23 N7 O5
NameSINEFUNGIN;
ADENOSYL-ORNITHINE
ChEMBLCHEMBL1214186
DrugBankDB01910
ZINCZINC000004217451
PDB chain5g02 Chain A Residue 410 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5g02 Structural studies of protein arginine methyltransferase 2 reveal its interactions with potential substrates and inhibitors.
Resolution2.451 Å
Binding residue
(original residue number in PDB)		Y80 F81 Y84 M93 R99 G123 C124 V128 E146 A147 R173 A174 E175 E189 M200 S203
Binding residue
(residue number reindexed from 1)		Y9 F10 Y13 M22 R28 G52 C53 V57 E75 A76 R102 A103 E104 E118 M129 S132
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D96 E189 E198 H347
Catalytic site (residue number reindexed from 1) D25 E118 E127 H276
Enzyme Commision number 2.1.1.125: Transferred entry: 2.1.1.319, 2.1.1.320, 2.1.1.321 and 2.1.1.322.
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:5g02, PDBe:5g02, PDBj:5g02
PDBsum5g02
PubMed27879050
UniProtA1L1Q4

[Back to BioLiP]