MolNFT v1 · #156422 · protein
Crystal structure of ANKG/BETA2-spectrin complex
6M3P · Ankyrin-3: “Crystal structure of ANKG/BETA2-spectrin complex”. X-ray diffraction, 20 pockets (best druggability 0.71). MolNFT v1 #156422 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6M3P
- Type
- protein
- Length
- 1,450 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ankyrin-3; Spectrin beta chain, non-erythrocytic 1
- UniProt
- O70511, Q62261
- Pockets
- 20 · best druggability 0.71
Structure
x-ray diffraction · 3 distinct chains · 29% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Ankyrin-3 | protein | 426 | 9% helix, 42% strand | O70511 |
| A, B | Spectrin beta chain, non-erythrocytic 1 | protein | 301 | 85% helix, 0% strand | Q62261 |
| C | Ankyrin-3 | protein | 422 | 10% helix, 42% strand | O70511 |
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 220 | 0.71 | 0.87 | 29 | empty |
| 2 | 80 | 0.70 | 0.95 | 18 | empty |
| 3 | 633 | 0.69 | 0.78 | 75 | empty |
| 4 | 510 | 0.67 | 0.78 | 64 | empty |
| 5 | 515 | 0.65 | 0.77 | 66 | empty |
Interfaces
3 interfaces between chains.
- C–B · 1014 Ų buried · 10 hydrogen bonds · protein-protein
- E–A · 1003 Ų buried · 10 hydrogen bonds · protein-protein
- E–B · 395 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6M3P · Crystal structure of AnkG/beta2-spectrin complex · the same entry in another collection · chain E against E, TM-score 1.00
- O70511 · AlphaFold monomer V2.0 prediction for ankyrin-3 (O70511) · a predicted model of the same protein · chain C against A, TM-score 0.91
- Q62261 · AlphaFold monomer V2.0 prediction for spectrin beta chain, non- erythrocytic 1 (Q62261) · a predicted model of the same protein · chain A against A, TM-score 0.88
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 O70511
- Every structure of UniProt Q62261
- Elsewhere: RCSB PDB 6M3P · PDBe 6M3P · UniProt O70511 · UniProt Q62261
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