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Structure of PDB 6kms Chain D Binding Site BS01

Receptor Information >6kms Chain D (length=209) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] FATPFHGHVGRGAFSDVYEPAEDTFLLLDALEAAAAELAGVEICLEVGSG SGVVSAFLASMIGPQALYMCTDINPEAAACTLETARCNKVHIQPVITDLV KGLLPRLTEKVDLLVFNPPYVVTPPQEVGSHGIEAAWAGGRNGREVMDRF FPLVPDLLSPRGLFYLVTIKENNPEEILKIMKTKGLQGTTALSRQAGQET LSVLKFTKS

Ligand information Ligand ID SAM InChI InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27-/m0/s1 InChIKey MEFKEPWMEQBLKI-FCKMPRQPSA-N SMILES Software SMILES CACTVS 3.341 C[S@@+](CC[C@H](N)C([O-])=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23 OpenEye OEToolkits 1.5.0 C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O CACTVS 3.341 C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 OpenEye OEToolkits 1.5.0 C[S@@+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O ACDLabs 10.04 [O-]C(=O)C(N)CC[S+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O Formula C15 H22 N6 O5 S Name S-ADENOSYLMETHIONINE ChEMBL CHEMBL1235831 DrugBank ZINC PDB chain 6kms Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure 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] PDB 6kms Structural insight into human N6amt1-Trm112 complex functioning as a protein methyltransferase. Resolution 3.2 Å Binding residue (original residue number in PDB) Y23 T29 G53 G55 V59 D77 I78 L104 N122 A141 Binding residue (residue number reindexed from 1) Y18 T24 G48 G50 V54 D72 I73 L99 N117 A136 Annotation score 5

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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