Structure of PDB 6cck Chain A

Receptor sequence

>6cckA (length=159) Species: 83333 (Escherichia coli K-12)

MQKRAIYPGTFDPITNGHIDIVTRATQMFDHVILAIAASPSKKPMFTLEE
RVALAQQATAHLGNVEVVGFSDLMANFARNQHATVLIRGLRAVADFEYEM
QLAHMNRHLMPELESVFLMPSKEWSFISSSLVKEVARHQGDVTHFLPENV
HQALMAKLA

3D structure

• PDB: 6cck Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
• Chain: A
• Resolution: 1.61 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H18 K42 R91 S129
• Catalytic site (residue number reindexed from 1): H18 K42 R91 S129
• Enzyme Commision number: 2.7.7.3: pantetheine-phosphate adenylyltransferase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	EXJ	A	P8 G9 A37 S39 F70 S71 D72 L73 M74 L102	P8 G9 A37 S39 F70 S71 D72 L73 M74 L102	MOAD: ic50=0.037uM PDBbind-CN: -logKd/Ki=7.43,IC50=0.037uM
BS02	ATP	A	Y7 T10 G17 H18 I21 R88 G89 R91 P120 I127 S128 S129 S130	Y7 T10 G17 H18 I21 R88 G89 R91 P120 I127 S128 S129 S130

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004595 pantetheine-phosphate adenylyltransferase activity
• GO:0005515 protein binding
• GO:0005524 ATP binding
• GO:0016779 nucleotidyltransferase activity
• GO:0042802 identical protein binding

Biological Process

• GO:0009058 biosynthetic process
• GO:0015937 coenzyme A biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:6cck, PDBe:6cck, PDBj:6cck
• PDBsum: 6cck
• PubMed: 29498517
• UniProt: P0A6I6|COAD_ECOLI Phosphopantetheine adenylyltransferase (Gene Name=coaD)