MolNFT v2 · #137514 · protein
BACE1 in complex with inhibitor 5g
5V0N: “BACE1 in complex with inhibitor 5g”. X-ray diffraction at 2.155, 3 ligands (8W4, URE, SO4). MolNFT v2 #137514 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5V0N
- Type
- protein
- Length
- 1,121 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.155
- Source
- Homo sapiens
- UniProt
- P56817
- Ligands
- 8W4, URE, SO4
Structure
x-ray diffraction · resolution 2.155 · 3 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 371 | — | P56817 |
| B | — | protein | 373 | — | P56817 |
| C | — | protein | 377 | — | P56817 |
Ligands and binding sites
- 8W4 · N-{(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2, 5]thiadiazepino[3,4,5-hi]indole-9-carboxamide · ligand · 3 copies · chains A, B, C
- URE · Urea · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 11 copies · chains A, B, C
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
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 P56817
- Elsewhere: RCSB PDB 5V0N · PDBe 5V0N · UniProt P56817
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