Structure of PDB 7mjv Chain A Binding Site BS04

Receptor Information
>7mjv Chain A (length=444) Species: 820 (Bacteroides uniformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADDNKKLFIETYGCQMNVADSEVIASVMQMAGYSVADTLEEADAVFMNTC
SIRDNAEQKILNRLEFFHSLKKKKRGLIVGVLGCMAERVKDDLITNHHVD
LVVGPDAYLTLPELIASVEAGEKAMNVELSTTETYRDVIPSRICGNHISG
FVSIMRGCNNFCTYCIVPYTRGRERSRDVESILNEVADLVAKGYKEVTLL
GQNVNSYRFEKPDGETITFPMLLRTVAEAAPGVRIRFTTSHPKDMSDETL
QVIADMPNVCKHIHLPVQSGSSRILKLMNRKYDREWYMDRVAAIRRIIPD
CGLSTDIFSGFHSETEEDHQLSLSLMEECGYDSAFMFKYSERPGTHASKH
LPDDVPEEVKIRRLNEIIALQNRLSAEANARCVGKTYEVLVEGVSKRSRD
QLFGRTEQNRVVVFDRGTHRVGDFVMVKVTESSSATLKGEEVAG
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 chain7mjv Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mjv Structural basis for tRNA methylthiolation by the radical SAM enzyme MiaB.
Resolution2.24 Å
Binding residue
(original residue number in PDB)		I65 R66 Y177 Q215 P279 Q281 D319 S353
Binding residue
(residue number reindexed from 1)		I52 R53 Y164 Q202 P266 Q268 D306 S340
Annotation score5
Enzymatic activity
Enzyme Commision number 2.8.4.3: tRNA-2-methylthio-N(6)-dimethylallyladenosine synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016740 transferase activity
GO:0035596 methylthiotransferase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051538 3 iron, 4 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006400 tRNA modification
GO:0008033 tRNA processing
GO:0035600 tRNA methylthiolation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7mjv, PDBe:7mjv, PDBj:7mjv
PDBsum7mjv
PubMed34526715
UniProtA0A174NUT3

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