Structure of PDB 6gfk Chain B Binding Site BS01

Receptor Information
>6gfk Chain B (length=220) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLNFKDPEAVRALTCTLLREDFGLSIDIPLERLIPTVPLRLNYIHWVEDL
IGHSTLRRGIDIGTGASCIYPLLGATLNGWYFLATEVDDMCFNYAKKNVE
QNNLSDLIKVVKVPQKTLLMDALKEEIIYDFCMCNPPFFANGGITEIMAE
GGELEFVKRIIHDSLQLKKRLRWYSCMLGKKCSLAPLKEELRIQGVPKVT
YTEFCQGRTMRWALAWSFYD
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 chain6gfk Chain B Residue 301 [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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PDB6gfk Methylation of Structured RNA by the m6A Writer METTL16 Is Essential for Mouse Embryonic Development.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		L75 R82 G110 T111 E133 V134 N184 P186
Binding residue
(residue number reindexed from 1)		L33 R40 G63 T64 E86 V87 N135 P137
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:6gfk, PDBe:6gfk, PDBj:6gfk
PDBsum6gfk
PubMed30197299
UniProtQ86W50|MET16_HUMAN RNA N6-adenosine-methyltransferase METTL16 (Gene Name=METTL16)

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