Structure of PDB 7yf4 Chain B Binding Site BS02

Receptor Information
>7yf4 Chain B (length=261) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QWYVCNREKLCESLQAVFVQSYLDQGTQIFLNNSIEKSGWAAIQAYHSAV
SSAFSLAMSRTSINGLLGRGSMFVFSPDQFQRLLKINPDWKTHRLLDLGA
GDGEVTKIMSPHFEEIYATELSETMIWQLQKKKYRVLGINEWQNQYDVIS
CLNLLDRCDQPLTLLKDIRSVLEPTRGRVILALVLPFHPYVENVGGKWEK
PSEILEIKGQNWEEQVNSLPEVFRKAGFVIEAFTRLPYLCEGDMYNDYYV
LDDAVFVLKPV
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 chain7yf4 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7yf4 Molecular basis for METTL9-mediated N1-histidine methylation
Resolution2.75 Å
Binding residue
(original residue number in PDB)		G153 G155 E174 L175 L209 N210 L211 R214 Y295
Binding residue
(residue number reindexed from 1)		G99 G101 E120 L121 L152 N153 L154 R157 Y238
Annotation score5
Enzymatic activity
Enzyme Commision number 2.1.1.-
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008168 methyltransferase activity
GO:0106370 protein-L-histidine N-pros-methyltransferase activity
Biological Process
GO:0032259 methylation
Cellular Component
GO:0005739 mitochondrion
GO:0005783 endoplasmic reticulum

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7yf4, PDBe:7yf4, PDBj:7yf4
PDBsum7yf4
PubMed37015930
UniProtQ9H1A3|METL9_HUMAN Protein-L-histidine N-pros-methyltransferase (Gene Name=METTL9)

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