Structure of PDB 2b25 Chain A Binding Site BS01

Receptor Information
>2b25 Chain A (length=254) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPFQAGELILAETTKFKKLFRLNNFGLLNVPFGKIVGKFPGQILRSSFGK
QYMLRRPALEDYVVLMKRGTAITFPKDINMILSMMDINPGDTVLEAGSGS
GGMSLFLSKAVGSQGRVISFEVRKDHHDLAKKNYKHWRDSWKLSHVEEWP
DNVDFIHKDISGATFDAVALDMLNPHVTLPVFYPHLKHGGVCAVYVVNIT
QVIELLDGIRTCELALSCEKISEVIVRDWLVCLVARPVHWQPGHTAFLVK
LRKV
Ligand information
Ligand IDSAM
InChIInChI=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
InChIKeyMEFKEPWMEQBLKI-FCKMPRQPSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[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 1.5.0C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O
CACTVS 3.341C[S+](CC[CH](N)C([O-])=O)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
OpenEye OEToolkits 1.5.0C[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
FormulaC15 H22 N6 O5 S
NameS-ADENOSYLMETHIONINE
ChEMBLCHEMBL1235831
DrugBank
ZINC
PDB chain2b25 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2b25 Human putative tRNA(1-methyladenosine)methyltransferase
Resolution2.5 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)		T70 T73 G97 G99 G102 E121 V122 D159 I160 D171 M172
Annotation score5
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2b25, PDBe:2b25, PDBj:2b25
PDBsum2b25
PubMed
UniProtQ9BVS5|TR61B_HUMAN tRNA (adenine(58)-N(1))-methyltransferase, mitochondrial (Gene Name=TRMT61B)

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