Structure of PDB 6cck Chain B

Receptor sequence

>6cckB (length=160) Species: 83333 (Escherichia coli K-12)

MQKRAIYPGTFDPITNGHIDIVTRATQMFDHVILAIAASPSKKPMFTLEE
RVALAQQATAHLGNVEVVGFSDLMANFARNQHATVLIRGLRAVADFEYEM
QLAHMNRHLMPELESVFLMPSKEWSFISSSLVKEVARHQGDVTHFLPENV
HQALMAKLAV

3D structure

• PDB: 6cck Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
• Chain: B
• 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	B	P8 G9 T10 A37 S39 F70 S71 D72 L73 M74 L102	P8 G9 T10 A37 S39 F70 S71 D72 L73 M74 L102	MOAD: ic50=0.037uM
BS02	ATP	B	Y7 G9 T10 F11 G17 H18 I21 R88 G89 R91 P120 I127 S128 S129 S130	Y7 G9 T10 F11 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)