MolNFT v1 · #129776 · protein
Humanized alpha-achbp (acetylcholine binding protein) in complex with lobeline.
5OUH: “Humanized alpha-achbp (acetylcholine binding protein) in complex with lobeline.”. X-ray diffraction, 4 ligands (L0B, NAG, BMA), 15 pockets (best druggability 0.72). MolNFT v1 #129776 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5OUH
- Type
- protein
- Length
- 1,025 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetylcholine binding protein
- Ligands
- L0B, NAG, BMA, MAN
- Pockets
- 15 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 8% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | Acetylcholine binding protein | protein | 205 | 8% helix, 48% strand | — |
Ligands and binding sites
- L0B · Alpha-Lobeline · ligand · 5 copies · chains A, B, C, D, E
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 10 copies · chains A, B, C, D, E
- BMA · beta-D-mannopyranose · sugar
- MAN · alpha-D-mannopyranose · sugar
- DMS · Dimethyl sulfoxide · additive · 4 copies · chains A, B, C, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 716 | 0.72 | 0.79 | 79 | L0B |
| 2 | 682 | 0.71 | 0.78 | 71 | L0B |
| 3 | 570 | 0.71 | 0.79 | 56 | L0B |
| 4 | 448 | 0.69 | 0.80 | 50 | L0B |
| 5 | 442 | 0.69 | 0.80 | 44 | L0B |
Interfaces
5 interfaces between chains.
- C–D · 1275 Ų buried · 15 hydrogen bonds · protein-protein
- A–E · 1260 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 1260 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 1233 Ų buried · 16 hydrogen bonds · protein-protein
- D–E · 1214 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide, 5 glycan (disulfide, N-glycosylation).
Compared structures
- 5OUH · Humanized alpha-AChBP (acetylcholine binding protein) in complex with lobeline. · the same entry in another collection · 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
- Elsewhere: RCSB PDB 5OUH · PDBe 5OUH
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