PDBsum entry 4m7x

Transferase/transferase inhibitor

PDB id: 4m7x

Contents

Protein chain

273 a.a.

Ligands

ADP

UNX ×12

27Q

Metals

_MG

Waters ×147

PDB id:

4m7x

Name:

Transferase/transferase inhibitor

Title:

Staphylococcus aureus type ii pantothenate kinase in complex with a pantothenate analog

Structure:

Type ii pantothenate kinase. Chain: a. Synonym: pank-ii, pantothenic acid kinase. Engineered: yes

Source:

Staphylococcus aureus subsp. Aureus. Organism_taxid: 196620. Strain: mw2. Gene: coaw, mw2054. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

1.42Å R-factor: 0.172 R-free: 0.194

Authors:

K.Mottaghi,B.Hong,W.Tempel,H.Park

Key ref:

S.J.Hughes et al. (2016). Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product. Acs Infect Dis, 2, 627-641. PubMed id: 27759386 DOI: 10.1021/acsinfecdis.6b00090

Date:

12-Aug-13 Release date: 03-Sep-14

Protein chain

Q8NVG0  (COAW_STAAW) -  Type II pantothenate kinase from Staphylococcus aureus (strain MW2)

Seq: 267 a.a.

Struc: 273 a.a.

Enzyme reactions

• Enzyme class: E.C.2.7.1.33 - pantothenate kinase.
• Pathway: Coenzyme A Biosynthesis (late stages)
• Reaction: (R)-pantothenate + ATP = (R)-4'-phosphopantothenate + ADP + H⁺

(R)-pantothenate + ATP = (R)-4'-phosphopantothenate (Bound ligand (Het Group name = 27Q) matches with 66.67% similarity) + ADP (Bound ligand (Het Group name = ADP) corresponds exactly) + H(+)

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

DOI no: 10.1021/acsinfecdis.6b00090

Acs Infect Dis 2:627-641 (2016)

PubMed id: 27759386

Discovery of Potent Pantothenamide Inhibitors of Staphylococcus aureus Pantothenate Kinase through a Minimal SAR Study: Inhibition Is Due to Trapping of the Product.

S.J.Hughes, L.Barnard, K.Mottaghi, W.Tempel, T.Antoshchenko, B.S.Hong, A.Allali-Hassani, D.Smil, M.Vedadi, E.Strauss, H.W.Park.

ABSTRACT

No abstract given.