MolNFT v2 · #204288 · protein
Crystal structure of human heparanase in complex with covalent inhibitor VB151
8B0B: “Crystal structure of human heparanase in complex with covalent inhibitor VB151”. X-ray diffraction at 1.95, 2 ligands (OUU, NAG). MolNFT v2 #204288 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 8B0B
- Type
- protein
- Length
- 457 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.95
- Source
- Homo sapiens
- UniProt
- Q9Y251
- Ligands
- OUU, NAG
Structure
x-ray diffraction · resolution 1.95 · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| AAA | — | protein | 384 | — | Q9Y251 |
| BBB | — | protein | 73 | — | Q9Y251 |
Ligands and binding sites
- OUU · (1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid · ligand · chains AAA, BBB
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains AAA
- EDO · 1,2-ethanediol · additive · chains AAA
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- Q9Y251 · AlphaFold monomer V2.0 prediction for heparanase (Q9Y251) · a predicted model of the same protein · chain AAA against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9Y251
- Elsewhere: RCSB PDB 8B0B · PDBe 8B0B · UniProt Q9Y251
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