MolNFT v1 · #95536 · protein
Crystal structure of residues 1-211 of CG17282
4IT4: “Crystal structure of residues 1-211 of CG17282”. X-ray diffraction, 15 pockets (best druggability 0.80). MolNFT v1 #95536 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4IT4
- Type
- protein
- Length
- 1,234 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CG17282
- UniProt
- Q9VDE4
- Pockets
- 15 · best druggability 0.80
Structure
x-ray diffraction · 6 distinct chains · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CG17282 | protein | 207 | 38% helix, 22% strand | Q9VDE4 |
| B | CG17282 | protein | 210 | 35% helix, 22% strand | Q9VDE4 |
| C | CG17282 | protein | 206 | 38% helix, 22% strand | Q9VDE4 |
| D | CG17282 | protein | 208 | 39% helix, 22% strand | Q9VDE4 |
| E | CG17282 | protein | 205 | 38% helix, 22% strand | Q9VDE4 |
| F | CG17282 | protein | 198 | 34% helix, 25% strand | Q9VDE4 |
Ligands and binding sites
- FMT · Formic acid · additive · 8 copies · chains A, B, C, D, F, E
- GOL · Glycerol · additive · 5 copies · chains B, E, A, C, F
- ACY · Acetic acid · additive · chains D, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 623 | 0.80 | 0.84 | 81 | GOL |
| 2 | 505 | 0.78 | 0.85 | 59 | FMT, GOL |
| 3 | 347 | 0.74 | 0.85 | 51 | FMT |
| 4 | 324 | 0.73 | 0.85 | 45 | FMT, ACY |
| 5 | 254 | 0.67 | 0.84 | 36 | empty |
Interfaces
12 interfaces between chains.
- C–E · 1054 Ų buried · 12 hydrogen bonds · protein-protein
- D–F · 982 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 973 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 545 Ų buried · 2 hydrogen bonds · protein-protein
- B–E · 522 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4IT4 · Crystal structure of residues 1-211 of CG17282 · 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 Q9VDE4
- Elsewhere: RCSB PDB 4IT4 · PDBe 4IT4 · UniProt Q9VDE4
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