2024-11-16_00000223
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ligand
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9KAU
Three-dimensional structure of homo-dimer of cystathione beta lyase/PLP/+L-alliin complex from Bacillus cereus(BcPatB);
X-ray diffraction 1.88Å
Protein #1
383 residues (98% resolved)
Raw Sequence ...
MQLFHKAINRRGTHSIKWDTYKNEELIHAWIADMDFEVPKPIQTALKQRIKHPIFGYTLPPENIGDIICNWTKQQYDWDIQKEWIVFSAGIVPALSTSIQAFTKENESVLVQPPIYPPFFEMVTTNNRQLCVSPLQKQNDTYVIDFKHLEKQFQQGIKLMLLCSPHNPIGRVWTKEELIKLGSLCTKYNVIVVADEIHSDIIYADHTHTPFASLSEELAERTITCMAPS(LLP)TFNIAGLQASIIIIPNEKLRHAFTAIQYRQGFHGLNIFAYTAMQSAYTECNDWLNKIRLYIEDNAKFACEYMKDHIPTLSVTKPEGSFLLWIDCSALNLSQDERTKLLEEKGKIIVEPGEKYGLGGEEHIRINIGCPRSVLEEILNRLRHTFS
Canonical Sequence ...
MQLFHKAINRRGTHSIKWDTYKNEELIHAWIADMDFEVPKPIQTALKQRIKHPIFGYTLPPENIGDIICNWTKQQYDWDIQKEWIVFSAGIVPALSTSIQAFTKENESVLVQPPIYPPFFEMVTTNNRQLCVSPLQKQNDTYVIDFKHLEKQFQQGIKLMLLCSPHNPIGRVWTKEELIKLGSLCTKYNVIVVADEIHSDIIYADHTHTPFASLSEELAERTITCMAPSKTFNIAGLQASIIIIPNEKLRHAFTAIQYRQGFHGLNIFAYTAMQSAYTECNDWLNKIRLYIEDNAKFACEYMKDHIPTLSVTKPEGSFLLWIDCSALNLSQDERTKLLEEKGKIIVEPGEKYGLGGEEHIRINIGCPRSVLEEILNRLRHTFS
Non polymer #2
OO0
InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11+/m0/s1
InChI=1S/C6H11NO3S/c1-2-3-11(10)4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-,11+/m0/s1
SMILES: C=CCS(=O)CC(C(=O)O)N
C=CCS(=O)CC(C(=O)O)N
Biounit #1
homo-dimer
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Model
Reference
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