MolNFT v1 · #185347 · protein
Crystal structure of human heparanase in complex with covalent inhibitor VL166
7PR7: “Crystal structure of human heparanase in complex with covalent inhibitor VL166”. X-ray diffraction, 5 ligands (8I4, NAG, FUC). MolNFT v1 #185347 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7PR7
- Type
- protein
- Length
- 459 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q9Y251
- Ligands
- 8I4, NAG, FUC, NDG, CL
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 385 | — | Q9Y251 |
| B | — | protein | 74 | — | Q9Y251 |
Ligands and binding sites
- 8I4 · (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid · ligand · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
- FUC · alpha-L-fucopyranose · sugar · chains A
- NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · chains A, B
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7PR7 · Crystal structure of human heparanase in complex with covalent inhibitor VL166 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y251 · AlphaFold monomer V2.0 prediction for heparanase (Q9Y251) · a predicted model of the same protein · chain A 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 7PR7 · PDBe 7PR7 · UniProt Q9Y251
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