2024-04-20_00000294
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ligand
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8UPQ
Campylobacter jejuni ketol-acid reductoisomerase in complex with 2,3-dihydroxy-3-isovalerate.;
X-ray diffraction 2.45Å
Protein #1
344 residues (99% resolved)
Raw Sequence ...
MAITVYYDKDCDLNLIKSKKVAIIGFGSQGHAHAMNLRDNGVNVTIGLREGSVSAVKAKNAGFEVMSVSEASKIADVIMILAPDEIQADIFNVEIKPNLSEGKAIAFAHGFNIHYGQIVVPKGVDVIMIAPKAPGHTVRNEFTLGGGTPCLIAIHQDESKNAKNLALSYASAIGGGRTGIIETTFKAETETDLFGEQAVLCGGLSALIQAGFETLVEAGYEPEMAYFECLHEMKLIVDLIYQGGIADMRYSISNTAEYGDYITGPKIITEETKKAMKGVLKDIQNGVFAKDFILERRAGFARMHAERKNMNDSLIEKTGRNLRAMMPWISAKKLVDADKNYKHC
Canonical Sequence ...
MAITVYYDKDCDLNLIKSKKVAIIGFGSQGHAHAMNLRDNGVNVTIGLREGSVSAVKAKNAGFEVMSVSEASKIADVIMILAPDEIQADIFNVEIKPNLSEGKAIAFAHGFNIHYGQIVVPKGVDVIMIAPKAPGHTVRNEFTLGGGTPCLIAIHQDESKNAKNLALSYASAIGGGRTGIIETTFKAETETDLFGEQAVLCGGLSALIQAGFETLVEAGYEPEMAYFECLHEMKLIVDLIYQGGIADMRYSISNTAEYGDYITGPKIITEETKKAMKGVLKDIQNGVFAKDFILERRAGFARMHAERKNMNDSLIEKTGRNLRAMMPWISAKKLVDADKNYKHC
Non polymer #2
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #3
XAI
InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-/m0/s1
InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-/m0/s1
SMILES: CC(C)([C@H](C(=O)O)O)O
CC(C)([C@H](C(=O)O)O)O
Biounit #1
homo-dimer
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Biounit #2
homo-dimer
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Biounit #3
homo-dimer
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Biounit #4
homo-dimer
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Model
Reference
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