MolNFT v1 · #79794 · protein
Crystal structure of hsc L82V
3TDX · FORMATE/NITRITE transporter: “Crystal structure of hsc L82V”. X-ray diffraction, 1 ligand (CL), 18 pockets (best druggability 0.80). MolNFT v1 #79794 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3TDX
- Type
- protein
- Length
- 1,293 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FORMATE/NITRITE transporter
- UniProt
- Q186B7
- Ligands
- CL
- Pockets
- 18 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 80% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | FORMATE/NITRITE transporter | protein | 257 | 82% helix, 0% strand | Q186B7 |
| C | FORMATE/NITRITE transporter | protein | 266 | 77% helix, 0% strand | Q186B7 |
| E | FORMATE/NITRITE transporter | protein | 256 | 82% helix, 0% strand | Q186B7 |
Ligands and binding sites
- CL · Chloride ion · ion · 5 copies · chains A, B, C, D, E
- PG4 · Tetraethylene glycol · additive · 5 copies · chains A, B, C, D, E
- BOG · octyl beta-D-glucopyranoside · additive · 2 copies · chains A, B, C, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1011 | 0.80 | 0.80 | 71 | empty |
| 2 | 339 | 0.66 | 0.80 | 40 | PG4 |
| 3 | 333 | 0.65 | 0.80 | 44 | PG4 |
| 4 | 322 | 0.65 | 0.80 | 39 | PG4 |
| 5 | 353 | 0.65 | 0.79 | 39 | PG4 |
Interfaces
5 interfaces between chains.
- C–D · 1728 Ų buried · 16 hydrogen bonds · protein-protein
- A–D · 1655 Ų buried · 10 hydrogen bonds · protein-protein
- B–E · 1602 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 1592 Ų buried · 9 hydrogen bonds · protein-protein
- C–E · 1557 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 3TDX · Crystal structure of HSC L82V · the same entry in another collection · chain A against A, TM-score 1.00
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 Q186B7
- Elsewhere: RCSB PDB 3TDX · PDBe 3TDX · UniProt Q186B7
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