MolNFT v1 · #129109 · protein
Crystal structure of mutant achbp in complex with glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG)
5OAN · Soluble acetylcholine receptor: “Crystal structure of mutant achbp in complex with glycine (T53F, Q74R, Y110A, I135S, G162E, S206CCP_KGTG)”. X-ray diffraction, 2 ligands (GLY, CL), 19 pockets (best druggability 0.68). MolNFT v1…
- PDB
- 5OAN
- Type
- protein
- Length
- 1,043 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Soluble acetylcholine receptor
- UniProt
- Q8WSF8
- Ligands
- GLY, CL
- Pockets
- 19 · best druggability 0.68
Structure
x-ray diffraction · 4 distinct chains · 9% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | Soluble acetylcholine receptor | protein | 206 | 10% helix, 51% strand | Q8WSF8 |
| B | Soluble acetylcholine receptor | protein | 211 | 9% helix, 50% strand | Q8WSF8 |
| C | Soluble acetylcholine receptor | protein | 212 | 9% helix, 50% strand | Q8WSF8 |
| D | Soluble acetylcholine receptor | protein | 208 | 10% helix, 50% strand | Q8WSF8 |
Ligands and binding sites
- GLY · Glycine · ligand · 4 copies · chains B, C, D, E, A
- CL · Chloride ion · ion · 5 copies · chains A, B, C, D, E
- ACT · Acetate ion · additive · 5 copies · chains A, B, C, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 353 | 0.68 | 0.81 | 45 | GLY |
| 2 | 440 | 0.67 | 0.79 | 54 | GLY |
| 3 | 354 | 0.67 | 0.81 | 43 | GLY |
| 4 | 327 | 0.65 | 0.80 | 46 | GLY |
| 5 | 429 | 0.61 | 0.76 | 47 | empty |
Interfaces
6 interfaces between chains.
- B–C · 1632 Ų buried · 13 hydrogen bonds · protein-protein
- C–D · 1441 Ų buried · 17 hydrogen bonds · protein-protein
- A–E · 1418 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 1394 Ų buried · 16 hydrogen bonds · protein-protein
- D–E · 1376 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 5OAN · Crystal structure of mutant AChBP in complex with glycine (T53F, Q74R, Y110A, I135S… · 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
- Every structure of UniProt Q8WSF8
- Elsewhere: RCSB PDB 5OAN · PDBe 5OAN · UniProt Q8WSF8
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