MolNFT v1 · #188518 · protein
Cryo-EM structure of human band 3-protein 4.2 complex (B2P2VERTICAL)
7TW1 · Band 3 anion transport protein: “Cryo-EM structure of human band 3-protein 4.2 complex (B2P2VERTICAL)”. Electron microscopy, 20 pockets (best druggability 0.88). MolNFT v1 #188518 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7TW1
- Type
- protein
- Length
- 2,993 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Band 3 anion transport protein; Protein 4.2
- UniProt
- P02730, P16452
- Pockets
- 20 · best druggability 0.88
Structure
electron microscopy · 3 distinct chains · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Band 3 anion transport protein | protein | 833 | 54% helix, 10% strand | P02730 |
| A | Band 3 anion transport protein | protein | 830 | 54% helix, 10% strand | P02730 |
| E, F | Protein 4.2 | protein | 665 | 16% helix, 40% strand | P16452 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 974 | 0.88 | 0.89 | 106 | empty |
| 2 | 1115 | 0.87 | 0.88 | 115 | empty |
| 3 | 499 | 0.79 | 0.86 | 61 | empty |
| 4 | 641 | 0.77 | 0.82 | 69 | empty |
| 5 | 742 | 0.77 | 0.81 | 74 | empty |
Interfaces
3 interfaces between chains.
- B–A · 3545 Ų buried · 32 hydrogen bonds · protein-protein
- A–E · 1847 Ų buried · 24 hydrogen bonds · protein-protein
- B–F · 1773 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 7TW1 · Cryo-EM structure of human band 3-protein 4.2 complex (B2P2vertical) · the same entry in another collection · chain F against F, TM-score 1.00
- P16452 · AlphaFold monomer V2.0 prediction for protein 4.2 (P16452) · a predicted model of the same protein · chain F against A, TM-score 0.96
- P02730 · AlphaFold monomer V2.0 prediction for band 3 anion transport protein (P02730) · a predicted model of the same protein · chain A against A, TM-score 0.65
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 P02730
- Every structure of UniProt P16452
- Elsewhere: RCSB PDB 7TW1 · PDBe 7TW1 · UniProt P02730 · UniProt P16452
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