Research workbench
Crystal structure of leut-E290S with bound br
Analyse Crystal structure of leut-E290S with bound br in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4HMK
- Type
- protein
- Length
- 1,007 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transporter
- UniProt
- O67854
- Ligands
- LEU, NA, BR
- Pockets
- 12 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transporter | protein | 501 | 77% helix, 1% strand | O67854 |
| B | Transporter | protein | 506 | 77% helix, 1% strand | O67854 |
Ligands and binding sites
- LEU · Leucine · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 4 copies · chains A, B
- BR · Bromide ion · ion · 11 copies · chains A, B
- BOG · octyl beta-D-glucopyranoside · additive · 9 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 256 | 0.81 | 0.92 | 25 | BOG |
| 2 | 609 | 0.71 | 0.79 | 56 | BR |
| 3 | 476 | 0.69 | 0.80 | 50 | BR |
| 4 | 172 | 0.61 | 0.83 | 24 | BOG, BR |
| 5 | 69 | 0.59 | 0.89 | 15 | BR |
Interfaces
1 interface between chains.
- A–B · 1300 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4HMK · Crystal structure of LeuT-E290S with bound Br · 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 O67854
- Elsewhere: RCSB PDB 4HMK · PDBe 4HMK · UniProt O67854
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