MolNFT v1 · #68969 · protein
Crystal structure of the ankyrin binding domain of human erythroid beta spectrin (repeats 13-15) in complex with the spectrin binding domain of human erythroid ankyrin (ZU5-ank)
3KBT · Spectrin beta chain, erythrocyte: “Crystal structure of the ankyrin binding domain of human erythroid beta spectrin (repeats 13-15) in complex…”. X-ray diffraction, 7 pockets (best druggability 0.66). MolNFT v1 #68969 on GenesisL1…
- PDB
- 3KBT
- Type
- protein
- Length
- 886 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Spectrin beta chain, erythrocyte; Ankyrin-1
- UniProt
- P11277, P16157
- Pockets
- 7 · best druggability 0.66
Structure
x-ray diffraction · 4 distinct chains · 60% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Spectrin beta chain, erythrocyte | protein | 284 | 89% helix, 0% strand | P11277 |
| B | Spectrin beta chain, erythrocyte | protein | 294 | 87% helix, 0% strand | P11277 |
| C | Ankyrin-1 | protein | 157 | 9% helix, 41% strand | P16157 |
| D | Ankyrin-1 | protein | 151 | 9% helix, 42% strand | P16157 |
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 501 | 0.66 | 0.77 | 40 | empty |
| 2 | 584 | 0.65 | 0.76 | 60 | empty |
| 3 | 349 | 0.61 | 0.78 | 41 | empty |
| 4 | 178 | 0.49 | 0.77 | 21 | empty |
| 5 | 174 | 0.47 | 0.76 | 20 | empty |
Interfaces
4 interfaces between chains.
- A–D · 828 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 825 Ų buried · 19 hydrogen bonds · protein-protein
- A–C · 136 Ų buried · 0 hydrogen bonds · protein-protein
- A–B · 89 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3KBT · Crystal structure of the ankyrin binding domain of human erythroid beta spectrin (repeats… · the same entry in another collection · chain D against D, TM-score 1.00
- P11277 · AlphaFold monomer V2.0 prediction for spectrin beta chain, erythrocytic (P11277) · a predicted model of the same protein · chain A against A, TM-score 0.96
- P16157 · AlphaFold monomer V2.0 prediction for ankyrin-1 (P16157) · a predicted model of the same protein · chain D against A, TM-score 0.90
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 P11277
- Every structure of UniProt P16157
- Elsewhere: RCSB PDB 3KBT · PDBe 3KBT · UniProt P11277 · UniProt P16157
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