2024-07-27_00000077|ligand|8RZH

ZgGH129 from Zobellia galactanivorans in complex with the inhibitor AD-DGJ (3,6-anhydro-D-1-deoxygalactonojirimycin).; X-ray diffraction 1.83Å

Protein #1 676 residues (97% resolved)

Raw Sequence ...

MGSSHHHHHHGSLDSPDPIVLENGKLNINIDSKTGCFSVTEKTSGHVWKSDPWENAAGLLTLTDSKGKKQTVNISKSKKIEVSKTAKNTVSLKFIDPVFEDGSVAKGVSIATELRLDPNNAQLDVEVTEHRSGNFTLYDLRYPARAFSLKTDEDKGAAVIPQKQGVICPSYIFPMNGGRFCKWDDATYNNKSQGSLELFNNGTGLTMPWWGTYNEKSAVMGIVDVSARPHMQYNINNNGQYLFNAKGVMSPYQRIVFLDPIWKLDQEKGKMRISYHFIPGGDYVDMAKVYQKEAKARGHFVSLQEKLKRNPNVNKLPGAIYFGIYGGYPHYVNMPGMAFTFDELKNIIKTIHDDLRVDKAFVHAWGTFSNFVPHNYPISEALGGPEKLKAAVDLAKSYGYLYSSYHAYSPMLENDPNFTTDLMQRDAEGKLMNTGSRWARVDPKFQKGLAQKNIEKEISYLGLEADITDITFAAYRENGKEGRIELAKYIDSFNLVNGTEHGQEQWIPYFDMFEGMTYLEDRPLSVISHPAPLFNLVYHEAIANFGKIQDPDNEVTANGDFRIKALRSMLFGRGTTIFFAPYEFEGMRPMIEMARDLVSPVHKETFYSELKSHEYLSADYKVQRSRFSSGTEVIANLGPVAQKIEGGISIPGYGYRIQMKDGSLKTGHFQVSLHMD

Canonical Sequence ...

Non polymer #2 16P

InChI=1S/C14H30O6/c1-3-15-5-7-17-9-11-19-13-14-20-12-10-18-8-6-16-4-2/h3-14H2,1-2H3

SMILES: CCOCCOCCOCCOCCOCCOCC

CCOCCOCCOCCOCCOCCOCC

Non polymer #3 A1H38

InChI=1S/C6H11NO3/c8-4-1-7-3-2-10-6(4)5(3)9/h3-9H,1-2H2

SMILES: C1[C@@H]([C@@H]2[C@H]([C@H](N1)CO2)O)O

C1[C@@H]([C@@H]2[C@H]([C@H](N1)CO2)O)O

Non polymer #4 CL

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

SMILES: [Cl-]

[Cl-]

Non polymer #5 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

SMILES: C(CO)O

C(CO)O

Non polymer #6 NA

InChI=1S/Na/q+1

SMILES: [Na+]

[Na+]

Non polymer #7 TLA

InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/t1-,2-/m1/s1

SMILES: [C@@H]([C@H](C(=O)O)O)(C(=O)O)O

[C@@H]([C@H](C(=O)O)O)(C(=O)O)O

Biounit #1 homo-dimer

Biounit #2 homo-dimer

Reference