MolNFT v1 · #106768 · protein
Selectivity mechanism of a bacterial homologue of the human drug peptide transporters PEPT1 and PEPT2
4TPJ · PROTON:OLIGOPEPTIDE symporter pot family: “Selectivity mechanism of a bacterial homologue of the human drug peptide transporters PEPT1 and PEPT2”. X-ray diffraction, 1 ligand (ZN), 10 pockets (best druggability 0.78). MolNFT v1…
- PDB
- 4TPJ
- Type
- protein
- Length
- 901 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PROTON:OLIGOPEPTIDE symporter pot family; Ala-ala-ala
- UniProt
- Q8EHE6
- Ligands
- ZN
- Pockets
- 10 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 78% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | PROTON:OLIGOPEPTIDE symporter pot family | protein | 445 | 79% helix, 0% strand | Q8EHE6 |
| B | PROTON:OLIGOPEPTIDE symporter pot family | protein | 450 | 78% helix, 1% strand | Q8EHE6 |
| C, E | Ala-ala-ala | protein | 3 | 0% helix, 0% strand | — |
Ligands and binding sites
- ZN · Zinc ion · metal · chains A, B
- LMT · Dodecyl-beta-D-maltoside · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 692 | 0.78 | 0.83 | 51 | empty |
| 2 | 595 | 0.77 | 0.83 | 53 | empty |
| 3 | 202 | 0.59 | 0.80 | 32 | empty |
| 4 | 233 | 0.56 | 0.77 | 23 | empty |
| 5 | 237 | 0.53 | 0.76 | 29 | ZN |
Interfaces
3 interfaces between chains.
- A–B · 704 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 261 Ų buried · 10 hydrogen bonds · protein-protein
- A–E · 261 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4TPJ · Selectivity mechanism of a bacterial homologue of the human drug peptide transporters… · the same entry in another collection · chain B against B, 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 Q8EHE6
- Elsewhere: RCSB PDB 4TPJ · PDBe 4TPJ · UniProt Q8EHE6
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