Structure of PDB 8ohv Chain AAA Binding Site BS01

Receptor Information

>8ohv Chain AAA (length=451) Species: 33075 (Acidobacterium capsulatum)

SPVRVGLSVDASALGHTIPPDYTGLSYEQAQMANPNYFSGANTQLAGFLR
TLGRQGVLRIGGNTSEYTFWNRHAKPTAADEHLAAGPDKGHHAAAREVIT
PEAVNNLSEFLDKTGWKLIYGLNLGKGTPENAADEAAYVMETIGADRLLA
FQLGNEPDLFYRNGIRPASYDFAAYAGDWQRFFTAIRKRVPNAPFAGPDT
AYNTKWLVPFADKFKHDVKFISSHYYAEMTIERLMKPNPRLLGETAGLKQ
VEADTGLPFRLTETNSCYQGGKQGVSDTFAAALWAGDLMYQQAAAGSTGI
NFHGGGYGWYTPVAGTPEDGFIARPEYYGMLLFAQAGAGQLLGAKLTDNS
AAPLLTAYALRGTDGRTRIALFNKNLDADVEVAISGVASPSGTVLRLEAP
RADDTTDVTFGGAPVGASGSWSPLVQEYVPGHSGQFVLHMRKASGALLEF
A

Ligand information

• Ligand ID: VP5
• InChI: InChI=1S/C6H11NO5/c8-4-3(5(9)10)1-7-2-6(4,11)12/h3-4,7-8,11-12H,1-2H2,(H,9,10)/t3-,4+/m0/s1
• InChIKey: VJJFPBNJYGLWRR-IUYQGCFVSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: C1C(C(C(CN1)(O)O)O)C(=O)O
  OpenEye OEToolkits 2.0.7: C1[C@@H]([C@H](C(CN1)(O)O)O)C(=O)O
  CACTVS 3.385: O[CH]1[CH](CNCC1(O)O)C(O)=O
  CACTVS 3.385: O[C@@H]1[C@H](CNCC1(O)O)C(O)=O
• Formula: C6 H11 N O5
• Name: (3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-carboxylic acid
• PDB chain: 8ohv Chain AAA Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8ohv Molecular Basis for Inhibition of Heparanases and beta-Glucuronidases by Siastatin B.
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): E45 G79 N80 D105 E173 Y243 E287 Y292 Q293 G294 H327 Y334
• Binding residue (residue number reindexed from 1): E28 G62 N63 D88 E156 Y226 E263 Y268 Q269 G270 H303 Y310
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0016798 hydrolase activity, acting on glycosyl bonds

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:8ohv, PDBe:8ohv, PDBj:8ohv
• PDBsum: 8ohv
• PubMed: 38118176
• UniProt: C1F2K5