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Structure of PDB 1zq9 Chain A Binding Site BS01

Receptor Information >1zq9 Chain A (length=278) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] QHILKNPLIINSIIDKAALRPTDVVLEVGPGTGNMTVKLLEKAKKVVACE LDPRLVAELHKRVQGTPVASKLQVLVGDVLKTDLPFFDTCVANLPYQISS PFVFKLLLHRPFFRCAILMFQREFALRLVAKPGDKLYCRLSINTQLLARV DHLMKVGKNNFRPPPKVESSVVRIEPKNPPPPINFQEWDGLVRITFVRKN KTLSAAFKSSAVQQLLEKNYRIHCSVHNIIIPEDFSIADKIQQILTSTGF SDKRARSMDIDDFIRLLHGFNAEGIHFS

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 1zq9 Chain A Residue 4000 [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 1zq9 Crystal structure of human Dimethyladenosine transferase with SAM Resolution 1.9 Å Binding residue (original residue number in PDB) Q36 H37 G64 G66 E85 L86 L90 G112 D113 V114 N128 L129 P130 F196 Binding residue (residue number reindexed from 1) Q1 H2 G29 G31 E50 L51 L55 G77 D78 V79 N93 L94 P95 F161 Annotation score 5

Enzymatic activity Catalytic site (original residue number in PDB) G64 E85 N128 Y131 F196 Catalytic site (residue number reindexed from 1) G29 E50 N93 Y96 F161 Enzyme Commision number 2.1.1.183: 18S rRNA (adenine(1779)-N(6)/adenine(1780)-N(6))-dimethyltransferase.

Gene Ontology Molecular Function GO:0000179 rRNA (adenine-N6,N6-)-dimethyltransferase activity GO:0003723 RNA binding GO:0008168 methyltransferase activity GO:0052909 18S rRNA (adenine(1779)-N(6)/adenine(1780)-N(6))-dimethyltransferase activity

	Biological Process
GO:0000154	rRNA modification
GO:0006364	rRNA processing
GO:0031167	rRNA methylation
GO:0032259	methylation
GO:0042274	ribosomal small subunit biogenesis
GO:2000234	positive regulation of rRNA processing

	Cellular Component
GO:0005634	nucleus
GO:0005654	nucleoplasm
GO:0005730	nucleolus
GO:0005829	cytosol
GO:0032040	small-subunit processome

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