Structure of PDB 7mjx Chain A Binding Site BS03

Receptor Information
>7mjx Chain A (length=442) Species: 820 (Bacteroides uniformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DNKKLFIETYGCQMNVADSEVIASVMQMAGYSVADTLEEADAVFMNTCSI
RDNAEQKILNRLEFFHSLKKKKRGLIVGVLGCMAERVKDDLITNHHVDLV
VGPDAYLTLPELIASVEAGEKAMNVELSTTETYRDVIPSRICGNHISGFV
SIMRGCNNFCTYCIVPYTRGRERSRDVESILNEVADLVAKGYKEVTLLGQ
NVNSYRFEKPDGETITFPMLLRTVAEAAPGVRIRFTTSHPKDMSDETLQV
IADMPNVCKHIHLPVQSGSSRILKLMNRKYDREWYMDRVAAIRRIIPDCG
LSTDIFSGFHSETEEDHQLSLSLMEECGYDSAFMFKYSERPGTHASKHLP
DDVPEEVKIRRLNEIIALQNRLSAEANARCVGKTYEVLVEGVSKRSRDQL
FGRTEQNRVVVFDRGTHRVGDFVMVKVTESSSATLKGEEVAG
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain7mjx Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mjx Structural basis for tRNA methylthiolation by the radical SAM enzyme MiaB.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		C171 N173 C175 Y177 C178 V180 P181 R293
Binding residue
(residue number reindexed from 1)		C156 N158 C160 Y162 C163 V165 P166 R278
Annotation score1
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:7mjx, PDBe:7mjx, PDBj:7mjx
PDBsum7mjx
PubMed34526715
UniProtA0A174NUT3

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