Structure of PDB 6h1d Chain A Binding Site BS01

Receptor Information
>6h1d Chain A (length=207) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STPFHGHVGRGAFSDVYEPAEDTFLLLDALEAAAAELAGVEICLEVGSGS
GVVSAFLASMIGPQALYMCTDINPEAAACTLETARCNKVHIQPVITDLVK
GLLPRLTEKVDLLVFNPPYVVTPPQEVGSHGIEAAWAGGRNGREVMDRFF
PLVPDLLSPRGLFYLVTIKENNPEEILKIMKTKGLQGTTALSRQAGQETL
SVLKFTK
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 chain6h1d Chain A 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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PDB6h1d KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells.
Resolution1.94 Å
Binding residue
(original residue number in PDB)		Y23 T29 G53 S54 G55 D77 I78 D103 L104 N122 P124 A140
Binding residue
(residue number reindexed from 1)		Y17 T23 G47 S48 G49 D71 I72 D97 L98 N116 P118 A134
Annotation score5
Binding affinityPDBbind-CN: -logKd/Ki=5.60,Kd=2.5uM
Enzymatic activity
Enzyme Commision number 2.1.1.-
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0005515 protein binding
GO:0008168 methyltransferase activity
GO:0008276 protein methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
GO:0009007 site-specific DNA-methyltransferase (adenine-specific) activity
GO:0030791 arsenite methyltransferase activity
GO:0036009 protein-glutamine N-methyltransferase activity
GO:0042054 histone methyltransferase activity
GO:0140984 histone H4K12 methyltransferase activity
GO:1904047 S-adenosyl-L-methionine binding
Biological Process
GO:0006325 chromatin organization
GO:0009404 toxin metabolic process
GO:0018364 peptidyl-glutamine methylation
GO:0018872 arsonoacetate metabolic process
GO:0030307 positive regulation of cell growth
GO:0032259 methylation
GO:0045814 negative regulation of gene expression, epigenetic
GO:0045815 transcription initiation-coupled chromatin remodeling
Cellular Component
GO:0005634 nucleus
GO:0005829 cytosol
GO:0032991 protein-containing complex
GO:0035657 eRF1 methyltransferase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6h1d, PDBe:6h1d, PDBj:6h1d
PDBsum6h1d
PubMed31061526
UniProtQ9Y5N5|N6MT1_HUMAN Methyltransferase N6AMT1 (Gene Name=N6AMT1)

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