Structure of PDB 8rzk Chain B Binding Site BS02

Receptor Information

>8rzk Chain B (length=659) Species: 63186 (Zobellia galactanivorans)

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

Ligand information

• Ligand ID: GAL
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
• InChIKey: WQZGKKKJIJFFOK-FPRJBGLDSA-N
• SMILES:
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.7.2: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
  OpenEye OEToolkits 1.7.2: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
• Formula: C6 H12 O6
• Name: beta-D-galactopyranose;
  beta-D-galactose;
  D-galactose;
  galactose
• ChEMBL: CHEMBL300520
• ZINC: ZINC000002597049
• PDB chain: 8rzk Chain F Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8rzk Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation.
• Resolution: 2.29 Å
• Binding residue (original residue number in PDB): N218 E517
• Binding residue (residue number reindexed from 1): N184 E483
• Annotation score: 4

External links

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