ISDA: 28IP

Deposition Date 2026-02-02

Release Date 2026-07-15

Last Version Date 2026-07-15

Entry Detail

PDB ID:

28IP

Keywords:

OXIDOREDUCTASE

Title:

structure of InhA from Mycobacterium tuberculosis in complex with 4-(4-hexyl-2-hydroxyphenoxy)benzaldehyde (compound 5a) - spacegroup C2

Biological Source:

Source Organism(s):

Mycobacterium tuberculosis (Taxon ID: 1773)

Expression System(s):

Escherichia coli 'bl21-gold(de3)plyss ag'

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

1.59 Å

R-Value Free:

0.17

R-Value Work:

0.15

R-Value Observed:

0.15

Space Group:

C 1 2 1

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Macromolecular Entities

Structures with similar UniProt ID

Structural Superimposition Protein Blast

Polymer Type:polypeptide(L)
Molecule:Enoyl-[acyl-carrier-protein]
Gene (Uniprot):inhA
Chain IDs:A, B, C, D
Chain Length:272
Number of Molecules:4
Biological Source:Mycobacterium tuberculosis

UniProt ID:P9WGR1 Pfam ID:PF13561 EC:1.3.1.118

Ligand Molecules

A1JY8

DMS

GOL

NAD

Primary Citation

Rational Design of Diaryl Ether-Based Dual Inhibitors Targeting Successive Essential Enzymes HadAB and InhA in Mycobacterium tuberculosis.

Tamhaev, R, Recchia, D, Zahorszka, M, Stelitano, G, Chiarelli, L.R, Rizet, J, Rima, J, Chebaiki, M, Valentin, L, Azema-Despeyroux, J, Hoffmann, P, Preuilh, N, Dumais, B, Britton, S, Degiacomi, G, Maveyraud, L, Kordulakova, J, Pasca, M.R, Mourey, L, Lherbet, C.Show

J.Med.Chem. ? ? ? (2026)

PMID: 42415474 DOI: 10.1021/acs.jmedchem.6c01302

Primary Citation of related structures

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