MolNFT v1 · #121662 · protein
Crystal structure of protein
5I20 · Uncharacterized protein: “Crystal structure of protein”. X-ray diffraction, 1 ligand (SO4), 19 pockets (best druggability 0.79). MolNFT v1 #121662 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5I20
- Type
- protein
- Length
- 1,638 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- D7A5Q8
- Ligands
- SO4
- Pockets
- 19 · best druggability 0.79
Structure
x-ray diffraction · 6 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 287 | 75% helix, 0% strand | D7A5Q8 |
| B | Uncharacterized protein | protein | 279 | 78% helix, 0% strand | D7A5Q8 |
| C | Uncharacterized protein | protein | 282 | 76% helix, 0% strand | D7A5Q8 |
| D | Uncharacterized protein | protein | 280 | 75% helix, 0% strand | D7A5Q8 |
| E | Uncharacterized protein | protein | 291 | 75% helix, 0% strand | D7A5Q8 |
| F | Uncharacterized protein | protein | 219 | 84% helix, 0% strand | D7A5Q8 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · chains A
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 23 copies · chains A, B, D, C, 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, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 784 | 0.79 | 0.82 | 52 | OLC |
| 2 | 571 | 0.78 | 0.84 | 44 | OLC |
| 3 | 821 | 0.77 | 0.80 | 55 | OLC |
| 4 | 637 | 0.77 | 0.82 | 47 | OLC |
| 5 | 697 | 0.76 | 0.81 | 47 | OLC |
Interfaces
6 interfaces between chains.
- A–E · 971 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 805 Ų buried · 2 hydrogen bonds · protein-protein
- B–F · 762 Ų buried · 4 hydrogen bonds · protein-protein
- B–D · 496 Ų buried · 3 hydrogen bonds · protein-protein
- A–F · 290 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 5I20 · Crystal structure of protein · 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 D7A5Q8
- Elsewhere: RCSB PDB 5I20 · PDBe 5I20 · UniProt D7A5Q8
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