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Structure of PDB 8b1n Chain A Binding Site BS02

Receptor Information >8b1n Chain A (length=433) Species: 768670 (Calditerrivibrio nitroreducens DSM 19672) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] GPHMKRYNVITIFPEMINEIFKYGVLSKGIDIGLFRVNPINLRDYTEDKH KTVDDYQYGGGHGLVMKPEPIYKAIADLKSKKDTHVVFLDPRGEQFTQKT AERLYNYDDITFVCGRYEGIDDRVRELMADEMISIGDFVITGGELAAVTI IDAVARLIPGVLGDENSPNEESFTTGLLEYPHFTRPAEFMGKKVPEVLIS GNHEEIRRWRLTESIKTTLQNRPDMILRKSLSREEEQILWSLTRGVQRKY NIYVALMHYPMRDKEGKVVTTSITNMDLHDISRSCRTFGVKNYFVVNPMP AQREIASRVVRHWIKGYGATYNENRKEAFEYTIITDSLASVIKSIEEKES GSPIIIATTARYQQKAISIEKLKEIADRPILLLFGTGWGFVDDILEFADY VLKPIHGVGDFNHLSVRSAVAIYLDRINRSFQE

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 8b1n Chain A Residue 504 [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 8b1n Are there double knots in proteins? Prediction and in vitro verification based on TrmD-Tm1570 fusion from C. nitroreducens. To be published Resolution 2.0 Å Binding residue (original residue number in PDB) T356 A357 G382 G386 I402 N409 H410 L411 V413 A416 Y420 Binding residue (residue number reindexed from 1) T359 A360 G385 G389 I405 N412 H413 L414 V416 A419 Y423 Annotation score 5

Enzymatic activity Enzyme Commision number 2.1.1.228: tRNA (guanine(37)-N(1))-methyltransferase.

Gene Ontology Molecular Function GO:0008168 methyltransferase activity GO:0046872 metal ion binding GO:0052906 tRNA (guanine(37)-N1)-methyltransferase activity

	Biological Process
GO:0002939	tRNA N1-guanine methylation
GO:0006400	tRNA modification
GO:0008033	tRNA processing
GO:0032259	methylation

	Cellular Component
GO:0005737	cytoplasm
GO:0005829	cytosol

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