Structure of PDB 6gfn Chain A Binding Site BS01

Receptor Information
>6gfn Chain A (length=254) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MALSKSMHARNRYKDKPPDFAYLASKYPDFKQHVQINLNGRVSLNFKDPE
AVRALTCTLLREDFGLSIDIPLERLIPTVPLRLNYIHWVEDLIGHQDKST
LRRGIDIGTGASCIYPLLGATLNGWYFLATEVDDMCFNYAKKNVEQNNLS
DLIKVVKVPQKTLLMDALKEESEIIYDFCMCNPPFGELEFVKRIIHDSLQ
LKKRLRWYSCMLGKKCSLAPLKEELRIQGVPKVTYTEFCQGRTMRWALAW
SFYD
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 chain6gfn Chain A Residue 300 [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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PDB6gfn Methylation of Structured RNA by the m6A Writer METTL16 Is Essential for Mouse Embryonic Development.
Resolution2.86 Å
Binding residue
(original residue number in PDB)		R82 G110 T111 G112 I116 Y117 E133 V134 T164 N184 P186
Binding residue
(residue number reindexed from 1)		R82 G108 T109 G110 I114 Y115 E131 V132 T162 N182 P184
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.346: U6 snRNA m(6)A methyltransferase.
2.1.1.348: mRNA m(6)A methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:6gfn, PDBe:6gfn, PDBj:6gfn
PDBsum6gfn
PubMed30197299
UniProtQ86W50|MET16_HUMAN RNA N6-adenosine-methyltransferase METTL16 (Gene Name=METTL16)

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