Structure of PDB 7mjw Chain B Binding Site BS02

Receptor Information
>7mjw Chain B (length=441) Species: 820 (Bacteroides uniformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NKKLFIETYGCQMNVADSEVIASVMQMAGYSVADTLEEADAVFMNTCSIR
DNAEQKILNRLEFFHSLKKKKRGLIVGVLGCMAERVKDDLITNHHVDLVV
GPDAYLTLPELIASVEAGEKAMNVELSTTETYRDVIPSRICGNHISGFVS
IMRGCNNFCTYCIVPYTRGRERSRDVESILNEVADLVAKGYKEVTLLGQN
VNSYRFEKPDGETITFPMLLRTVAEAAPGVRIRFTTSHPKDMSDETLQVI
ADMPNVCKHIHLPVQSGSSRILKLMNRKYDREWYMDRVAAIRRIIPDCGL
STDIFSGFHSETEEDHQLSLSLMEECGYDSAFMFKYSERPGTHASKHLPD
DVPEEVKIRRLNEIIALQNRLSAEANARCVGKTYEVLVEGVSKRSRDQLF
GRTEQNRVVVFDRGTHRVGDFVMVKVTESSSATLKGEEVAG
Ligand information
Ligand IDZKP
InChIInChI=1S/CH3S.3Fe.3S/c1-2;;;;;;/h1H3;;;;;;
InChIKeyNMYMZQNZHUHIMW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[S]1[Fe]2S[Fe]3[S]2[Fe]1S3
CACTVS 3.385CS[Fe]1S[Fe]S[Fe]S1
FormulaC H3 Fe3 S4
NameFE3-S4 methylated cluster
ChEMBL
DrugBank
ZINC
PDB chain7mjw Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mjw Structural basis for tRNA methylthiolation by the radical SAM enzyme MiaB.
Resolution1.4 Å
Binding residue
(original residue number in PDB)		C27 N30 C63 S64 I65 C97 R184
Binding residue
(residue number reindexed from 1)		C11 N14 C47 S48 I49 C81 R168
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:7mjw, PDBe:7mjw, PDBj:7mjw
PDBsum7mjw
PubMed34526715
UniProtA0A174NUT3

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