2024-06-15_00000152|ligand|8S45

CdaA-E05 complex; X-ray diffraction 1.69Å

Protein #1 178 residues (87% resolved)

Raw Sequence ...

GPLGSYGSRIEREQHHLIESIEKSTQYMAKRRIGALISVARDTGMDDYIETGIPLNAKISSQLLINIFIPNTPLHDGAVIIKGNEIASAASYLPLSDSPFLSKELGTRHRAALGISEVTDSITIVVSEETGGISLTKGGELFRDVSEEELHKILLKELVTVTAKKPSIFSKWKGGKSE

Canonical Sequence ...

GPLGSYGSRIEREQHHLIESIEKSTQYMAKRRIGALISVARDTGMDDYIETGIPLNAKISSQLLINIFIPNTPLHDGAVIIKGNEIASAASYLPLSDSPFLSKELGTRHRAALGISEVTDSITIVVSEETGGISLTKGGELFRDVSEEELHKILLKELVTVTAKKPSIFSKWKGGKSE

Non polymer #2 G3Y

InChI=1S/C12H15NO3S/c13-9-8-6-15-12(16-8)11(10(9)14)17-7-4-2-1-3-5-7/h1-5,8-12,14H,6,13H2/t8-,9+,10-,11+,12-/m0/s1

SMILES: c1ccc(cc1)S[C@@H]2[C@H]([C@@H]([C@@H]3CO[C@H]2O3)N)O

c1ccc(cc1)S[C@@H]2[C@H]([C@@H]([C@@H]3CO[C@H]2O3)N)O

Biounit #1 monomer

Biounit #2 monomer

Reference