2024-07-27_00000078|ligand|8RZI

ZgGH129 from Zobellia galactanivorans soaked with 1,2-diF-ADG (3,6-Anhydro-2-deoxy-2-fluoro-a-D-galactopyranosyl fluoride) resulting in a trapped glycosyl-enzyme intermediate.; X-ray diffraction 1.96Å

Protein #1 676 residues (97% resolved)

Raw Sequence ...

MGSSHHHHHHGSLDSPDPIVLENGKLNINIDSKTGCFSVTEKTSGHVWKSDPWENAAGLLTLTDSKGKKQTVNISKSKKIEVSKTAKNTVSLKFIDPVFEDGSVAKGVSIATELRLDPNNAQLDVEVTEHRSGNFTLYDLRYPARAFSLKTDEDKGAAVIPQKQGVICPSYIFPMNGGRFCKWDDATYNNKSQGSLELFNNGTGLTMPWWGTYNEKSAVMGIVDVSARPHMQYNINNNGQYLFNAKGVMSPYQRIVFLDPIWKLDQEKGKMRISYHFIPGGDYVDMAKVYQKEAKARGHFVSLQEKLKRNPNVNKLPGAIYFGIYGGYPHYVNMPGMAFTFDELKNIIKTIHDDLRVDKAFVHAWGTFSNFVPHNYPISEALGGPEKLKAAVDLAKSYGYLYSSYHAYSPMLENDPNFTTDLMQRDAEGKLMNTGSRWARVDPKFQKGLAQKNIEKEISYLGLEADITDITFAAYRENGKEGRIELAKYIDSFNLVNGTEHGQEQWIPYFDMFEGMTYLEDRPLSVISHPAPLFNLVYHEAIANFGKIQDPDNEVTANGDFRIKALRSMLFGRGTTIFFAPYEFEGMRPMIEMARDLVSPVHKETFYSELKSHEYLSADYKVQRSRFSSGTEVIANLGPVAQKIEGGISIPGYGYRIQMKDGSLKTGHFQVSLHMD

Canonical Sequence ...

Non polymer #2 A1H37

InChI=1S/C6H9FO3/c7-3-1-9-4-2-10-6(3)5(4)8/h3-6,8H,1-2H2/t3-,4+,5-,6+/m0/s1

SMILES: C1[C@@H]2[C@@H]([C@H](O1)[C@H](CO2)F)O

C1[C@@H]2[C@@H]([C@H](O1)[C@H](CO2)F)O

Non polymer #3 CL

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

SMILES: [Cl-]

[Cl-]

Non polymer #4 EDO

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

SMILES: C(CO)O

C(CO)O

Non polymer #5 NA

InChI=1S/Na/q+1

SMILES: [Na+]

[Na+]

Non polymer #6 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

SMILES: C(COCCO)O

C(COCCO)O

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