2025-01-04_00000023|ligand|8VXL

Crystal Structure of the External Aldimine Complex of Pyridoxal-5'-Tetrazole and (S)-4-amino-5-phenoxypentanoate with the Bacillus subtilis GabR C-terminal Effector-binding and Oligomerization Domain; X-ray diffraction 2.24Å
Protein #1 383 residues (95% resolved)

MIDQSDWISFSHMSSDTDHFPIKSWFRCEQKAASRSYRTLGDMSHPQGIYEVRAAITRLISLTRGVKCRPEQMIIGAGTQVLMQLLTELLPKEAVYAMEEPGYRRMYQLLKNAGKQVKTIMLDEKGMSIAEITRQQPDVLVTTPSHQFPSGTIMPVSRRIQLLNWAAEEPRRYIIEDDYDSEFTYDVDSIPALQSLDRFQNVIYMGTFSKSLLPGLRISYMVLPPELLRAYKQRGYDLQTCSSLTQLTLQEFIESGEYQKHIKKMKQHYKEKRERLITALEAEFSGEVTVKGANAGLHFVTEFDTRRTEQDILSHAAGLQLEIFGMSRFNLKENKRQTGRPALIIGFARLKEEDIQEGVQRLFKAVYGHKKIPVTGDHHHHHH

MIDQSDWISFSHMSSDTDHFPIKSWFRCEQKAASRSYRTLGDMSHPQGIYEVRAAITRLISLTRGVKCRPEQMIIGAGTQVLMQLLTELLPKEAVYAMEEPGYRRMYQLLKNAGKQVKTIMLDEKGMSIAEITRQQPDVLVTTPSHQFPSGTIMPVSRRIQLLNWAAEEPRRYIIEDDYDSEFTYDVDSIPALQSLDRFQNVIYMGTFSKSLLPGLRISYMVLPPELLRAYKQRGYDLQTCSSLTQLTLQEFIESGEYQKHIKKMKQHYKEKRERLITALEAEFSGEVTVKGANAGLHFVTEFDTRRTEQDILSHAAGLQLEIFGMSRFNLKENKRQTGRPALIIGFARLKEEDIQEGVQRLFKAVYGHKKIPVTGDHHHHHH
Non polymer #2 A1AEJ

InChI=1S/C21H22N6O4/c1-14-21(30)18(15(11-22-14)7-9-19-24-26-27-25-19)12-23-16(8-10-20(28)29)13-31-17-5-3-2-4-6-17/h2-7,9,11-12,16,30H,8,10,13H2,1H3,(H,28,29)(H,24,25,26,27)/b9-7+,23-12+/t16-/m0/s1

Cc1c(c(c(cn1)/C=C/c2[nH]nnn2)/C=N/[C@@H](CCC(=O)O)COc3ccccc3)O
Non polymer #3 LYS

InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1

C(CC[NH3+])C[C@@H](C(=O)O)N
Non polymer #4 PO4

InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3

[O-]P(=O)([O-])[O-]
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Reference