2025-04-05_00000067
|
ligand
|
9B9P
Crystal structure of Staphylococcus aureus ketol-acid reductoisomerase in complex with Mg2+, and JK-5-114;
X-ray diffraction 3.18Å
Protein #1
340 residues (96% resolved)
Raw Sequence ...
MTTVYYDQDVKTDALQGKKIAVVGYGSQGHAHAQNLKDNGYDVVIGIRPGRSFDKAKEDGFDVFPVAEAVKQADVIMVLLPDEIQGDVYKNEIEPNLEKHNALAFAHGFNIHFGVIQPPADVDVFLVAPKGPGHLVRRTFVEGSAVPSLFGIQQDASGQARNIALSYAKGIGATRAGVIETTFKEETETDLFGEQAVLCGGVSKLIQSGFETLVEAGYQPELAYFEVLHEMKLIVDLMYEGGMENVRYSISNTAEFGDYVSGPRVITPDVKENMKAVLTDIQNGNFSNRFIEDNKNGFKEFYKLREEQHGHQIEKVGRELREMMPFIKSKSIEKHHHHHH
Canonical Sequence ...
MTTVYYDQDVKTDALQGKKIAVVGYGSQGHAHAQNLKDNGYDVVIGIRPGRSFDKAKEDGFDVFPVAEAVKQADVIMVLLPDEIQGDVYKNEIEPNLEKHNALAFAHGFNIHFGVIQPPADVDVFLVAPKGPGHLVRRTFVEGSAVPSLFGIQQDASGQARNIALSYAKGIGATRAGVIETTFKEETETDLFGEQAVLCGGVSKLIQSGFETLVEAGYQPELAYFEVLHEMKLIVDLMYEGGMENVRYSISNTAEFGDYVSGPRVITPDVKENMKAVLTDIQNGNFSNRFIEDNKNGFKEFYKLREEQHGHQIEKVGRELREMMPFIKSKSIEKHHHHHH
Non polymer #2
A1AKJ
InChI=1S/C11H7N3O3S/c15-10-7-8(13-11(16)14(10)17)12-9(18-7)6-4-2-1-3-5-6/h1-5,17H,(H,13,16)
InChI=1S/C11H7N3O3S/c15-10-7-8(13-11(16)14(10)17)12-9(18-7)6-4-2-1-3-5-6/h1-5,17H,(H,13,16)
SMILES: c1ccc(cc1)c2nc3c(s2)C(=O)N(C(=O)N3)O
c1ccc(cc1)c2nc3c(s2)C(=O)N(C(=O)N3)O
Non polymer #3
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Biounit #1
homo-dimer
Download coordinates
Tube
Model
Reference
100%