MolNFT v1 · #70279 · protein
The crystal structure of the ABC domain in complex with L-TRP from streptococcus pneumonia to 1.35A
3LFT · Uncharacterized protein: “The crystal structure of the ABC domain in complex with L-TRP from streptococcus pneumonia to 1.35A”. X-ray diffraction, 1 ligand (TRP), 6 pockets (best druggability 0.69). MolNFT v1 #70279 on GenesisL1: 3D…
- PDB
- 3LFT
- Type
- protein
- Length
- 583 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q97QX5
- Ligands
- TRP
- Pockets
- 6 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 295 | 42% helix, 21% strand | Q97QX5 |
| B | Uncharacterized protein | protein | 288 | 44% helix, 20% strand | Q97QX5 |
Ligands and binding sites
- TRP · Tryptophan · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.69 | 0.97 | 26 | TRP |
| 2 | 445 | 0.66 | 0.78 | 34 | empty |
| 3 | 233 | 0.51 | 0.76 | 39 | empty |
| 4 | 60 | 0.44 | 0.82 | 13 | empty |
| 5 | 97 | 0.36 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 738 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3LFT · The Crystal Structure of the ABC domain in complex with L-Trp from Streptococcus… · 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 Q97QX5
- Elsewhere: RCSB PDB 3LFT · PDBe 3LFT · UniProt Q97QX5
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