2024-11-16_00000220
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ligand
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9JWC
Three-dimensional structure of homo-dimer of cystathione beta lyase/PLP/+L-alliin complex from lactobacillus delbrueckii(LdPatB);
X-ray diffraction 2.08Å
Protein #1
390 residues (100% resolved)
Raw Sequence ...
MAEKQYDFTHVPKRQGNSIKWGGLKEKELPMWIAEMDFRIAPEIMTSMEEKLKVAAFGYESVPAEYYKAVADWEEIEHRARPKEDWCVFASGVVPAISAMVRQFTSPGDQILVQEPVYNMFYSVIEGNGRRVISSDLIYENSKYSVNWADLEEKLATPSVRMMVFCNPHNPIGYAWSEEEVKRIAELCAKHQVLLISDEIHGDLVLTDEDITPAFTVDWDAKNWVVSLISPSKTFNLAALHAACAIIPNPDLRARAEESFFLAGIGEPNLLAIPAAIAAYEEGHNWLRELKQVLRDNFAYAREFLAKEVPEVKVLDSNASYLAWVDISALGMNAEDFCKYLREKTGLIISAGNGYRGNGHEFVRINLACPKELVIDGMQRLKQGVLNLNN
Canonical Sequence ...
MAEKQYDFTHVPKRQGNSIKWGGLKEKELPMWIAEMDFRIAPEIMTSMEEKLKVAAFGYESVPAEYYKAVADWEEIEHRARPKEDWCVFASGVVPAISAMVRQFTSPGDQILVQEPVYNMFYSVIEGNGRRVISSDLIYENSKYSVNWADLEEKLATPSVRMMVFCNPHNPIGYAWSEEEVKRIAELCAKHQVLLISDEIHGDLVLTDEDITPAFTVDWDAKNWVVSLISPSKTFNLAALHAACAIIPNPDLRARAEESFFLAGIGEPNLLAIPAAIAAYEEGHNWLRELKQVLRDNFAYAREFLAKEVPEVKVLDSNASYLAWVDISALGMNAEDFCKYLREKTGLIISAGNGYRGNGHEFVRINLACPKELVIDGMQRLKQGVLNLNN
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
Non polymer #3
PLP
InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
SMILES: Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
Cc1c(c(c(cn1)COP(=O)(O)O)C=O)O
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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