Structure of PDB 5exk Chain I Binding Site BS04

Receptor Information
>5exk Chain I (length=296) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LRLEVRNAQTPIERKPPWIKTRARIGPEYTELKNLVRREGLHTVCEEAGC
PNIFECWEDREATFLIGGDQCTRRCDFCQIDTGKPAELDRDEPRRVADSV
RTMGLRYATVTGVARDDLPDGGAWLYAATVRAIKELNPSTGVELLIPDFN
GEPTRLAEVFESGPEVLAHNVETVPRIFKRIRPAFTYRRSLGVLTAARDA
GLVTKSNLILGLGETSDEVRTALGDLRDAGCDIVTITQYLRPSARHHPVE
RWVKPEEFVQFARFAEGLGFAGVLAGPLVRSSYRAGRLYEQARNSR
Ligand information
Ligand IDMET
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeyFFEARJCKVFRZRR-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CSCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)N
CACTVS 3.341CSCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCSC
FormulaC5 H11 N O2 S
NameMETHIONINE
ChEMBLCHEMBL42336
DrugBankDB00134
ZINCZINC000001532529
PDB chain5exk Chain I Residue 404 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5exk Crystallographic snapshots of sulfur insertion by lipoyl synthase.
Resolution1.86 Å
Binding residue
(original residue number in PDB)		T121 G122 P157 R192
Binding residue
(residue number reindexed from 1)		T111 G112 P147 R182
Annotation score5
Enzymatic activity
Enzyme Commision number 2.8.1.8: lipoyl synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0016740 transferase activity
GO:0016992 lipoate synthase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0009107 lipoate biosynthetic process
GO:0009249 protein lipoylation
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5exk, PDBe:5exk, PDBj:5exk
PDBsum5exk
PubMed27506792
UniProtP9WK91|LIPA_MYCTU Lipoyl synthase (Gene Name=lipA)

[Back to BioLiP]