Research workbench
Crystal structure of ZU5-ank, the spectrin binding region of human erythroid ankyrin
Analyse Crystal structure of ZU5-ank, the spectrin binding region of human erythroid… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3F59
- Type
- protein
- Length
- 605 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ankyrin-1
- UniProt
- P16157
- Ligands
- BR
- Pockets
- 15 · best druggability 0.73
Structure
x-ray diffraction · 4 distinct chains · 11% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ankyrin-1 | protein | 149 | 12% helix, 41% strand | P16157 |
| B | Ankyrin-1 | protein | 149 | 11% helix, 41% strand | P16157 |
| C | Ankyrin-1 | protein | 153 | 10% helix, 40% strand | P16157 |
| D | Ankyrin-1 | protein | 154 | 11% helix, 40% strand | P16157 |
Ligands and binding sites
- BR · Bromide ion · ion · 18 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 86 | 0.73 | 0.95 | 25 | BR |
| 2 | 70 | 0.72 | 0.97 | 21 | BR |
| 3 | 358 | 0.66 | 0.80 | 56 | empty |
| 4 | 122 | 0.54 | 0.82 | 20 | BR |
| 5 | 249 | 0.51 | 0.75 | 24 | empty |
Interfaces
3 interfaces between chains.
- C–D · 880 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 556 Ų buried · 14 hydrogen bonds · protein-protein
- A–C · 549 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 3F59 · Crystal structure of ZU5-ANK, the spectrin binding region of human erythroid ankyrin · the same entry in another collection · chain D against D, TM-score 1.00
- P16157 · AlphaFold monomer V2.0 prediction for ankyrin-1 (P16157) · a predicted model of the same protein · chain B against A, TM-score 0.92
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 P16157
- Elsewhere: RCSB PDB 3F59 · PDBe 3F59 · UniProt P16157
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