Structure of PDB 7yy3 Chain A Binding Site BS02

Receptor Information

>7yy3 Chain A (length=157) Species: 36809 (Mycobacteroides abscessus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

MTGAVCPGSFDPVTLGHLDVFERAAAQFDEVIVAVLINPNKAGMFTVDER
IEMIRESTADLPNLRVESGQGLLVDFVRERGLNAIVKGLRTGTDFEYELQ
MAQMNKHIAGVDTFFVATAPAYSFVSSSLAKEVATYGGDVSALLPASVHQ
RLLGKLR

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mg+2]
CACTVS 3.341	[Mg++]

Formula

Name

MAGNESIUM ION

PDB chain

7yy3 Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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PDB	7yy3 Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design.
Resolution	1.535 Å
Binding residue (original residue number in PDB)	H17 S126 S127
Binding residue (residue number reindexed from 1)	H17 S126 S127
Annotation score	1

Enzymatic activity

Enzyme Commision number

2.7.7.3: pantetheine-phosphate adenylyltransferase.

Gene Ontology

	Molecular Function
GO:0003824	catalytic activity
GO:0004595	pantetheine-phosphate adenylyltransferase activity
GO:0005524	ATP binding
GO:0016779	nucleotidyltransferase activity

	Biological Process
GO:0009058	biosynthetic process
GO:0015937	coenzyme A biosynthetic process

	Cellular Component
GO:0005737	cytoplasm

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Molecular Function

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Cellular Component

External links

PDB	RCSB:7yy3, PDBe:7yy3, PDBj:7yy3
PDBsum	7yy3
PubMed	35712348
UniProt	B1MDL6\|COAD_MYCA9 Phosphopantetheine adenylyltransferase (Gene Name=coaD)

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