2026-08-22_00000398
|
ligand
|
9T0W
Crystal structure of the Mycobacterium tuberculosis histidinol-phosphate aminotransferase HisC in complex with the adduct PLP-BVL3572S;
X-ray diffraction 1.74Å
Protein #1
393 residues (93% resolved)
Raw Sequence ...
MTRSGHPVTLDDLPLRADLRGKAPYGAPQLAVPVRLNTNENPHPPTRALVDDVVRSVREAAIDLHRYPDRDAVALRADLAGYLTAQTGIQLGVENIWAANGSNEILQQLLQAFGGPGRSAIGFVPSYSMHPIISDGTHTEWIEASRANDFGLDVDVAVAAVVDRKPDVVFIASPNNPSGQSVSLPDLCKLLDVAPGIAIVDEAYGEFSSQPSAVSLVEEYPSKLVVTRTMSKAFAFAGGRLGYLIATPAVIDAMLLVRLPYHLSSVTQAAARAALRHSDDTLSSVAALIAERERVTTSLNDMGFRVIPSDANFVLFGEFADAPAAWRRYLEAGILIRDVGIPGYLRATTGLAEENDAFLRASARIATDLVPVTRSPVGAPKLAAALEHHHHHH
Canonical Sequence ...
MTRSGHPVTLDDLPLRADLRGKAPYGAPQLAVPVRLNTNENPHPPTRALVDDVVRSVREAAIDLHRYPDRDAVALRADLAGYLTAQTGIQLGVENIWAANGSNEILQQLLQAFGGPGRSAIGFVPSYSMHPIISDGTHTEWIEASRANDFGLDVDVAVAAVVDRKPDVVFIASPNNPSGQSVSLPDLCKLLDVAPGIAIVDEAYGEFSSQPSAVSLVEEYPSKLVVTRTMSKAFAFAGGRLGYLIATPAVIDAMLLVRLPYHLSSVTQAAARAALRHSDDTLSSVAALIAERERVTTSLNDMGFRVIPSDANFVLFGEFADAPAAWRRYLEAGILIRDVGIPGYLRATTGLAEENDAFLRASARIATDLVPVTRSPVGAPKLAAALEHHHHHH
Non polymer #2
A1JSV
InChI=1S/C17H17BrN3O7P/c1-9-16(22)13(11(6-19-9)8-28-29(25,26)27)7-20-14-4-10-2-3-12(18)5-15(10)21(24)17(14)23/h2-3,5-7,14,22,24H,4,8H2,1H3,(H2,25,26,27)/b20-7+/t14-/m0/s1
InChI=1S/C17H17BrN3O7P/c1-9-16(22)13(11(6-19-9)8-28-29(25,26)27)7-20-14-4-10-2-3-12(18)5-15(10)21(24)17(14)23/h2-3,5-7,14,22,24H,4,8H2,1H3,(H2,25,26,27)/b20-7+/t14-/m0/s1
SMILES: Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2Cc3ccc(cc3N(C2=O)O)Br)O
Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@H]2Cc3ccc(cc3N(C2=O)O)Br)O
Non polymer #3
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Biounit #1
homo-dimer
Download coordinates
Tube
Model
Reference
100%