MolNFT v1 · #94421 · protein
Crystal structure of escherichia COLI mscs wildtype (open state)
4HWA · Small-conductance mechanosensitive channel: “Crystal structure of escherichia COLI mscs wildtype (open state)”. X-ray diffraction, 20 pockets (best druggability 0.82). MolNFT v1 #94421 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4HWA
- Type
- protein
- Length
- 1,792 residues
- Chains
- 7
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Small-conductance mechanosensitive channel
- UniProt
- P0C0S1
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G | Small-conductance mechanosensitive channel | protein | 256 | 45% helix, 25% strand | P0C0S1 |
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 | 402 | 0.82 | 0.89 | 28 | empty |
| 2 | 861 | 0.78 | 0.80 | 76 | empty |
| 3 | 848 | 0.77 | 0.80 | 77 | empty |
| 4 | 728 | 0.76 | 0.80 | 62 | empty |
| 5 | 671 | 0.74 | 0.80 | 56 | empty |
Interfaces
14 interfaces between chains.
- A–G · 2509 Ų buried · 34 hydrogen bonds · protein-protein
- F–G · 2495 Ų buried · 34 hydrogen bonds · protein-protein
- C–D · 2489 Ų buried · 32 hydrogen bonds · protein-protein
- E–F · 2486 Ų buried · 34 hydrogen bonds · protein-protein
- D–E · 2475 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 4HWA · Crystal Structure of Escherichia coli MscS Wildtype (Open State) · the same entry in another collection · chain G against G, TM-score 1.00
- P0C0S1 · AlphaFold monomer V2.0 prediction for small-conductance mechanosensitive channel (P0C0S1) · 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 P0C0S1
- Elsewhere: RCSB PDB 4HWA · PDBe 4HWA · UniProt P0C0S1
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