Structure of PDB 7mjx Chain A Binding Site BS02

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 IDF3S
InChIInChI=1S/3Fe.4S
InChIKeyFCXHZBQOKRZXKS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385S1[Fe]S[Fe]2S[Fe]1S2
OpenEye OEToolkits 2.0.7S1[Fe]2S[Fe]3[S]2[Fe]1S3
FormulaFe3 S4
NameFE3-S4 CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain7mjx Chain A Residue 501 [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)		C27 N30 C63 S64 I65 C97 R184 Q215
Binding residue
(residue number reindexed from 1)		C12 N15 C48 S49 I50 C82 R169 Q200
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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