Structure of PDB 5udx Chain D Binding Site BS01

Receptor Information
>5udx Chain D (length=240) Species: 220668 (Lactiplantibacillus plantarum WCFS1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATLATKKATLVAALKDLQRVTVAFSGGIDSTLVLKMALDVLGRDNVTAVV
ANSELFTDEEFDKAMSLAEELGANVQGTTLDYLSDDHIKNNTPDSWYYAK
KMFYSRLNDIAANNGSAAVLDGMIARSLLQEADFFKTDVRALAQELGLTN
WNKVASCSVSSRFPYGTTLTHDNIAQVMAAEKYLRSLGFPTVRVRFHNDI
ARIELPEARIGDFLVFNDRVNRQLQSLGFRYVTLDLGGFR
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5udx Chain D Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5udx Structural insights into the catalytic mechanism of a sacrificial sulfur insertase of the N-type ATP pyrophosphatase family, LarE.
Resolution2.784 Å
Binding residue
(original residue number in PDB)		D59 D63
Binding residue
(residue number reindexed from 1)		D58 D62
Annotation score1
Enzymatic activity
Enzyme Commision number 4.4.1.37: pyridinium-3,5-bisthiocarboxylic acid mononucleotide synthase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016783 sulfurtransferase activity
GO:0016829 lyase activity

View graph for
Molecular Function
External links
PDB RCSB:5udx, PDBe:5udx, PDBj:5udx
PDBsum5udx
PubMed28784764
UniProtF9UST4|LARE_LACPL Pyridinium-3,5-bisthiocarboxylic acid mononucleotide synthase (Gene Name=larE)

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