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Structure of PDB 2b25 Chain B Binding Site BS01

Receptor Information >2b25 Chain B (length=239) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] RPFQAGELILAETKFKKLFRLNKIVGKFPGQILRSQYMLRRPALEDYVVL MKRGTAITFPKDINMILSMMDINPGDTVLEAGSGSGGMSLFLSKAVGSQG RVISFEVRKDHHDLAKKNYKHWRDSWKLSHVEEWPDNVDFIHKDISGATF DAVALDMLNPHVTLPVFYPHLKHGGVCAVYVVNITQVIELLDGIRTCELA LSCEKISEVIVRDWLVCLVARPVHWQPGHTAFLVKLRKV

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 2b25 Chain B Residue 602 [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 2b25 Human putative tRNA(1-methyladenosine)methyltransferase Resolution 2.5 Å Binding residue (original residue number in PDB) T84 T87 G111 G113 G116 E135 V136 D173 I174 D192 M193 Binding residue (residue number reindexed from 1) T55 T58 G82 G84 G87 E106 V107 D144 I145 D156 M157 Annotation score 5

Enzymatic activity Enzyme Commision number 2.1.1.- 2.1.1.220: tRNA (adenine(58)-N(1))-methyltransferase.

Gene Ontology Molecular Function GO:0160107 tRNA (adenine(58)-N1)-methyltransferase activity

	Biological Process
GO:0030488	tRNA methylation

	Cellular Component
GO:0031515	tRNA (m1A) methyltransferase complex

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