Structure of PDB 8rzk Chain A Binding Site BS04

Receptor Information

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

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

Ligand information

• Ligand ID: 9RN
• InChI: InChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6+/m1/s1
• InChIKey: DCQFFOLNJVGHLW-RDQKPOQOSA-N
• SMILES:
  CACTVS 3.385: O[C@H]1O[C@@H]2CO[C@H]([C@H]1O)[C@H]2O
  ACDLabs 12.01: OC1OC2COC(C2O)C1O
  OpenEye OEToolkits 2.0.7: C1[C@@H]2[C@@H]([C@H](O1)[C@H]([C@H](O2)O)O)O
  OpenEye OEToolkits 2.0.7: C1C2C(C(O1)C(C(O2)O)O)O
  CACTVS 3.385: O[CH]1O[CH]2CO[CH]([CH]1O)[CH]2O
• Formula: C6 H10 O5
• Name: 3,6-anhydro-alpha-D-galactopyranose
• PDB chain: 8rzk Chain F Residue 4

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): C198 D202
• Binding residue (residue number reindexed from 1): C164 D168
• Annotation score: 1

External links

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