2024-12-14_00000340|ligand|9AWT

Structure of the A type blood alpha-D-galactosamine galactosaminidase from Flavonifractor plautii in complex with GalN-pNP; X-ray diffraction 2.30Å

Protein #1 672 residues (97% resolved)

Raw Sequence ...

AAPATDTGNAGLIAEGDYAIAGNGVRVTYDADGQTITLYRTEGSGLIQMSKPSPLGGPVIGGQEVQDFSHISCDVEQSTSGVMGSGQRMTITSQSMSTGLIRTYVLETSDIEEGVVYTATSYEAGASDVEVSWFIGSVYELYGAEDRIWSYNGGGEGPMHYYDTLQKIDLTDSGKFSRENKQDDTAASIPVSDIYIADGGITVGDASATRREVHTPVQETSDSAQVSIGWPGKVIAAGSVIEIGESFAVVHPGDYYNGLRGYKNAMDHLGVIMPAPGDIPDSSYDLRWESWGWGFNWTIDLIIGKLDELQAAGVKQITLDDGWYTNAGDWALNPEKFPNGASDALRLTDAIHEHGMTALLWWRPCDGGIDSILYQQHPEYFVMDADGRPARLPTPGGGTNPSLGYALCPMADGAIASQVDFVNRAMNDWGFDGFKGDYVWSMPECYNPAHNHASPEESTEKQSEIYRVSYEAMVANDPNVFNLLCNCGTPQDYYSLPYMTQIATADPTSVDQTRRRVKAYKALMGDYFPVTADHNNIWYPSAVGTGSVLIEKRDLSGTAKEEYEKWLGIADTVQLQKGRFIGDLYSYGFDPYETYVVAADGVMYYAFYKDGSKYSPTGYPDIELKGLDPNKMYRIVDYVNDRVVATNLMGDNAVFNTRFSDYLLVKAVEISE

Canonical Sequence ...

Non polymer #2 A1AHC

InChI=1S/C12H16N2O7/c13-9-11(17)10(16)8(5-15)21-12(9)20-7-3-1-6(2-4-7)14(18)19/h1-4,8-12,15-17H,5,13H2/t8-,9-,10+,11-,12+/m1/s1

SMILES: c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)N

c1cc(ccc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)N

Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

SMILES: [Cl-]

[Cl-]

Non polymer #4 CO

InChI=1S/Co/q+2

SMILES: [Co+2]

[Co+2]

Non polymer #5 MN

InChI=1S/Mn/q+2

SMILES: [Mn+2]

[Mn+2]

Non polymer #6 ZN

InChI=1S/Zn/q+2

SMILES: [Zn+2]

[Zn+2]

Reference