2026-10-10_00000112|ligand|39FN

Phosphoheptose isomerase GMHA from Burkholderia pseudomallei bound to inhibitor Mut141157; X-ray diffraction 1.79Å

Protein #1 198 residues (98% resolved)

Raw Sequence ...

SMENRELTYITNSIAEAQRVMAAMLADERLLATVRKVADACIASIAQGGKVLLAGNGGSAADAQHIAGEFVSRFAFDRPGLPAVALTTDTSILTAIGNDYGYEKLFSRQVQALGNEGDVLIGYSTSGKSPNILAAFREAKAKGMTCVGFTGNRGGEMRELCDLLLEVPSADTPKIQEGHLVLGHIVCGLVEHSIFGKQ

Canonical Sequence ...

SMENRELTYITNSIAEAQRVMAAMLADERLLATVRKVADACIASIAQGGKVLLAGNGGSAADAQHIAGEFVSRFAFDRPGLPAVALTTDTSILTAIGNDYGYEKLFSRQVQALGNEGDVLIGYSTSGKSPNILAAFREAKAKGMTCVGFTGNRGGEMRELCDLLLEVPSADTPKIQEGHLVLGHIVCGLVEHSIFGKQ

Non polymer #2 ACT

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1

SMILES: CC(=O)[O-]

CC(=O)[O-]

Non polymer #3 JEM

InChI=1S/C7H15O11P/c8-2(1-18-19(15,16)17)3(9)4(10)5(11)6(12)7(13)14/h2-6,8-12H,1H2,(H,13,14)(H2,15,16,17)/t2-,3-,4-,5+,6-/m1/s1

SMILES: C([C@H]([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O)OP(=O)(O)O

C([C@H]([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O)OP(=O)(O)O

Non polymer #4 ZN

InChI=1S/Zn/q+2

SMILES: [Zn+2]

[Zn+2]

Biounit #1 homo-tetramer

Reference