PDBsum entry 5k4x

Oxidoreductase

PDB id: 5k4x

Contents

Protein chain

330 a.a.

Ligands

6Q9

IMP

Waters ×349

PDB id:

5k4x

Name:

Oxidoreductase

Title:

M. Thermoresistible impdh in complex with imp and compound 1

Structure:

Inosine-5'-monophosphate dehydrogenase,inosine-5'- monophosphate dehydrogenase. Chain: a. Engineered: yes

Source:

Mycobacterium thermoresistibile. Organism_taxid: 1797. Gene: rmct_0580. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

1.37Å R-factor: 0.199 R-free: 0.213

Authors:

A.Pacitto,D.B.Ascher,T.L.Blundell

Key ref:

Y.Park et al. (2017). Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis. Acs Infect Dis, 3, 18-33. PubMed id: 27704782 DOI: 10.1021/acsinfecdis.6b00103

Date:

22-May-16 Release date: 19-Oct-16

Protein chain

G7CNL4  (G7CNL4_MYCT3) -  Inosine-5'-monophosphate dehydrogenase from Mycolicibacterium thermoresistibile (strain ATCC 19527 / DSM 44167 / CIP 105390 / JCM 6362 / NCTC 10409 / 316)

Seq: 513 a.a.

Struc: 330 a.a.*

* PDB and UniProt seqs differ at 1 residue position (black cross)

Enzyme reactions

• Enzyme class: E.C.1.1.1.205 - Imp dehydrogenase.
• Pathway: AMP and GMP Biosynthesis
• Reaction: IMP + NAD⁺ + H2O = XMP + NADH + H⁺

IMP + NAD(+) (Bound ligand (Het Group name = IMP) corresponds exactly) + H2O = XMP + NADH + H(+)

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

reference

DOI no: 10.1021/acsinfecdis.6b00103

Acs Infect Dis 3:18-33 (2017)

PubMed id: 27704782

Essential but Not Vulnerable: Indazole Sulfonamides Targeting Inosine Monophosphate Dehydrogenase as Potential Leads against Mycobacterium tuberculosis.

Y.Park, A.Pacitto, T.Bayliss, L.A.Cleghorn, Z.Wang, T.Hartman, K.Arora, T.R.Ioerger, J.Sacchettini, M.Rizzi, S.Donini, T.L.Blundell, D.B.Ascher, K.Rhee, A.Breda, N.Zhou, V.Dartois, S.R.Jonnala, L.E.Via, V.Mizrahi, O.Epemolu, L.Stojanovski, F.Simeons, M.Osuna-Cabello, L.Ellis, C.J.MacKenzie, A.R.Smith, S.H.Davis, D.Murugesan, K.I.Buchanan, P.A.Turner, M.Huggett, F.Zuccotto, M.J.Rebollo-Lopez, M.J.Lafuente-Monasterio, O.Sanz, G.S.Diaz, J.Lelièvre, L.Ballell, C.Selenski, M.Axtman, S.Ghidelli-Disse, H.Pflaumer, M.Bösche, G.Drewes, G.M.Freiberg, M.D.Kurnick, M.Srikumaran, D.J.Kempf, S.R.Green, P.C.Ray, K.Read, P.Wyatt, C.E.Barry, H.I.Boshoff.

ABSTRACT

No abstract given.