MolNFT v1 · #156357 · protein
ACE2-B0AT1 complex, open conformation
6M1D · Sodium-dependent neutral amino acid transporter B(0)AT1: “ACE2-B0AT1 complex, open conformation”. Electron microscopy, 20 pockets (best druggability 0.83). MolNFT v1 #156357 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6M1D
- Type
- protein
- Length
- 2,706 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sodium-dependent neutral amino acid transporter B(0)AT1; Angiotensin-converting enzyme 2
- EC
- 3.4.17.23
- UniProt
- Q695T7, Q9BYF1
- Pockets
- 20 · best druggability 0.83
Structure
electron microscopy · 2 distinct chains · 51% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Sodium-dependent neutral amino acid transporter B(0)AT1 | protein | 605 | 59% helix, 1% strand | Q695T7 |
| B, D | Angiotensin-converting enzyme 2 (EC 3.4.17.23) | protein | 748 | 44% helix, 5% strand | Q9BYF1 |
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 | 315 | 0.83 | 0.93 | 65 | empty |
| 2 | 219 | 0.83 | 0.95 | 39 | empty |
| 3 | 243 | 0.83 | 0.94 | 46 | empty |
| 4 | 230 | 0.82 | 0.94 | 42 | empty |
| 5 | 215 | 0.82 | 0.95 | 36 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1069 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 883 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 779 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 disulfide (disulfide).
Compared structures
- 6M1D · ACE2-B0AT1 complex, open conformation · the same entry in another collection · chain A against A, TM-score 1.00
- Q695T7 · AlphaFold monomer V2.0 prediction for sodium-dependent neutral amino acid transporter… · a predicted model of the same protein · chain A against A, TM-score 0.97
- Q9BYF1 · AlphaFold monomer V2.0 prediction for angiotensin-converting enzyme 2 (Q9BYF1) · a predicted model of the same protein · chain D against A, TM-score 0.79
- 3SCI · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain D against A, TM-score 0.68
- 3SCI · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain D against A, TM-score 0.68
- 3SCK · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain D against A, TM-score 0.68
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 Q695T7
- Every structure of UniProt Q9BYF1
- Elsewhere: RCSB PDB 6M1D · PDBe 6M1D · UniProt Q695T7 · UniProt Q9BYF1
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