MolNFT v1 · #85870 · protein
Crystal structure of AMA1 from neospora caninum
4APL · Apical membrane antigen 1: “Crystal structure of AMA1 from neospora caninum”. X-ray diffraction, 12 pockets (best druggability 0.83). MolNFT v1 #85870 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4APL
- Type
- protein
- Length
- 1,577 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Apical membrane antigen 1
- UniProt
- A2A114
- Pockets
- 12 · best druggability 0.83
Structure
x-ray diffraction · 4 distinct chains · 16% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Apical membrane antigen 1 | protein | 398 | 14% helix, 29% strand | A2A114 |
| B | Apical membrane antigen 1 | protein | 394 | 16% helix, 27% strand | A2A114 |
| D | Apical membrane antigen 1 | protein | 395 | 15% helix, 29% strand | A2A114 |
| E | Apical membrane antigen 1 | protein | 390 | 16% helix, 26% strand | A2A114 |
Pockets
12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 991 | 0.83 | 0.85 | 114 | empty |
| 2 | 1118 | 0.83 | 0.84 | 119 | empty |
| 3 | 238 | 0.53 | 0.77 | 28 | empty |
| 4 | 267 | 0.53 | 0.75 | 34 | empty |
| 5 | 245 | 0.51 | 0.75 | 42 | empty |
Interfaces
3 interfaces between chains.
- A–E · 847 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 842 Ų buried · 10 hydrogen bonds · protein-protein
- D–E · 362 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 32 disulfide (disulfide).
Compared structures
- 4APL · Crystal Structure of AMA1 from Neospora caninum · 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 A2A114
- Elsewhere: RCSB PDB 4APL · PDBe 4APL · UniProt A2A114
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