Structure of PDB 8rzh Chain C Binding Site BS01

Receptor Information

>8rzh Chain C (length=659) Species: 63186 (Zobellia galactanivorans)

PIVLENGKLNINIDSKTGCFSVTEKTSGHVWKSDPWENAAGLLTLTDSKG
KKQTVNISKSKKIEVSKTAKNTVSLKFIDPVFEDGSVAKGVSIATELRLD
PNNAQLDVEVTEHRSGNFTLYDLRYPARAFSLKTDEDKGAAVIPQKQGVI
CPSYIFPMNGGRFCKWDDATYNNKSQGSLELFNNGTGLTMPWWGTYNEKS
AVMGIVDVSARPHMQYNINNNGQYLFNAKGVMSPYQRIVFLDPIWKLDQE
KGKMRISYHFIPGGDYVDMAKVYQKEAKARGHFVSLQEKLKRNPNVNKLP
GAIYFGIYGGYPHYVNMPGMAFTFDELKNIIKTIHDDLRVDKAFVHAWGT
FSNFVPHNYPISEALGGPEKLKAAVDLAKSYGYLYSSYHAYSPMLENDPN
FTTDLMQRDAEGKLMNTGSRWARVDPKFQKGLAQKNIEKEISYLGLEADI
TDITFAAYRENGKEGRIELAKYIDSFNLVNGTEHGQEQWIPYFDMFEGMT
YLEDRPLSVISHPAPLFNLVYHEAIANFGKIQDPDNEVTANGDFRIKALR
SMLFGRGTTIFFAPYEFEGMRPMIEMARDLVSPVHKETFYSELKSHEYLS
ADYKVQRSRFSSGTEVIANLGPVAQKIEGGISIPGYGYRIQMKDGSLKTG
HFQVSLHMD

Ligand information

• Ligand ID: A1H38
• InChI: InChI=1S/C6H11NO3/c8-4-1-7-3-2-10-6(4)5(3)9/h3-9H,1-2H2
• InChIKey: WVZIAVGWQFETLH-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: O[C@@H]1CN[C@@H]2CO[C@@H]1[C@H]2O
  CACTVS 3.385: O[CH]1CN[CH]2CO[CH]1[CH]2O
  OpenEye OEToolkits 2.0.7: C1C(C2C(C(N1)CO2)O)O
  OpenEye OEToolkits 2.0.7: C1[C@@H]([C@@H]2[C@H]([C@H](N1)CO2)O)O
• Formula: C6 H11 N O3
• Name: (1~{R},4~{S},5~{R},8~{S})-6-oxa-2-azabicyclo[3.2.1]octane-4,8-diol;
  AD-DGJ;
  3,6-anhydro-D-1-deoxygalactonojirimycin
• PDB chain: 8rzh Chain C Residue 700

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8rzh Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation.
• Resolution: 1.83 Å
• Binding residue (original residue number in PDB): H347 W382 W455 D486 I487 E517 I565 Q566
• Binding residue (residue number reindexed from 1): H313 W348 W421 D452 I453 E483 I531 Q532
• Annotation score: 1

External links

• PDB: RCSB:8rzh, PDBe:8rzh, PDBj:8rzh
• PDBsum: 8rzh
• PubMed: 39022920
• UniProt: G0L004