MolNFT v1 · #104609 · protein
Crystal structure of a unique ankyrin
4QFV · Ank-N5C-281: “Crystal structure of a unique ankyrin”. X-ray diffraction, 9 pockets (best druggability 0.90). MolNFT v1 #104609 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4QFV
- Type
- protein
- Length
- 910 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ank-N5C-281
- Pockets
- 9 · best druggability 0.90
Structure
x-ray diffraction · 3 distinct chains · 53% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ank-N5C-281 | protein | 229 | 52% helix, 0% strand | — |
| B | Ank-N5C-281 | protein | 227 | 53% helix, 0% strand | — |
| C, D | Ank-N5C-281 | protein | 227 | 53% helix, 0% strand | — |
Ligands and binding sites
- ACT · Acetate ion · additive · 3 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1141 | 0.90 | 0.91 | 78 | ACT |
| 2 | 97 | 0.68 | 0.92 | 26 | empty |
| 3 | 168 | 0.65 | 0.86 | 32 | empty |
| 4 | 244 | 0.62 | 0.81 | 39 | empty |
| 5 | 142 | 0.59 | 0.84 | 29 | empty |
Interfaces
6 interfaces between chains.
- B–D · 1468 Ų buried · 26 hydrogen bonds · protein-protein
- A–C · 1412 Ų buried · 24 hydrogen bonds · protein-protein
- A–B · 1403 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 1402 Ų buried · 17 hydrogen bonds · protein-protein
- A–D · 110 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4QFV · Crystal structure of a unique ankyrin · 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 4QFV · PDBe 4QFV
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