Structure of PDB 8b1n Chain B Binding Site BS03

Receptor Information
>8b1n Chain B (length=410) Species: 768670 (Calditerrivibrio nitroreducens DSM 19672) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMKRYNVITIFPEMINEIFKYGVLSKGIDIGLFRVNPINLRDYTEDKHKT
VDDYQYGGGHGLVMKPEPIYKAIADLKSKKDTHVVFLDPRGEQFTQKTAE
RLYNYDDITFVCGRYEGIDDRVRELMADEMISIGDFVITGGELAAVTIID
AVARLIPGVLGDENSPNEESFTTGLLEYPHFTRPAEFMGKKVPEVLISGN
HEEIRRWRLTESIKTTLQNRPDMILRKSLSREEEQILWSLTRYNIYVALM
HYPMRDKEGKVVTTSITNMDLHDISRSCRTFGVKNYFVVNPMPAQREIAS
RVVRHWIKYTIITDSLASVIKSIEEKESGSPIIIATTARYQQKAISIEKL
KEIADRPILLLFGTGWGFVDDILEFADYVLKPIHGVGDFNHLSVRSAVAI
YLDRINRSFQ
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 chain8b1n Chain B Residue 504 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8b1n Are there double knots in proteins? Prediction and in vitro verification based on TrmD-Tm1570 fusion from C. nitroreducens. To be published
Resolution2.0 Å
Binding residue
(original residue number in PDB)		L86 D87 P88 G112 Y114 E115 S131 I132 V136 I137 G139 G140
Binding residue
(residue number reindexed from 1)		L87 D88 P89 G113 Y115 E116 S132 I133 V137 I138 G140 G141
Annotation score5
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8b1n, PDBe:8b1n, PDBj:8b1n
PDBsum8b1n
PubMed38903539
UniProtE4THH1

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