› 6x7a

X-ray diffraction
2.08Å resolution

Crystal structure of acetyltransferase Eis from Mycobacterium tuberculosis in complex with inhibitor SGT572

Released:
DOI: 10.2210/pdb6x7a/pdb
PDB entry 6x7a coloured by chain, front view.
PDB entry 6x7a coloured by chain, side view.
PDB entry 6x7a coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Structure-based design of haloperidol analogues as inhibitors of acetyltransferase Eis from Mycobacterium tuberculosis to overcome kanamycin resistance
Punetha A, Green KD, Garzan A, Willby MJ, Pang AH, Hou C, Holbrook SYL, Krieger K, Posey JE, Parish T, Tsodikov OV, Garneau-Tsodikova S
Rsc Med Chem 12 1894-1909 (2021)

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-161420 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
N-acetyltransferase Eis Chain: AAA
Molecule details ›
Chain: AAA
Length: 422 amino acids
Theoretical weight: 46 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P9WFK7 (Residues: 1-402; Coverage: 100%)
Gene names: MTCY253.04, Rv2416c, eis
Sequence domains:

Ligands and Environments

5 bound ligands:
Ligand UTD 1 x UTD
Ligand PEG 1 x PEG
Ligand GOL 7 x GOL
Ligand DMS 2 x DMS
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: R32
Unit cell:
a: 175.108Å b: 175.108Å c: 123.74Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.172 0.171 0.192
Expression system: Escherichia coli BL21(DE3)

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