MolNFT v1 · #22443 · protein
The structure of mexa
1T5E · Multidrug resistance protein mexa: “The structure of mexa”. X-ray diffraction, 1 ligand (3GR), 20 pockets (best druggability 0.54). MolNFT v1 #22443 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1T5E
- Type
- protein
- Length
- 3,003 residues
- Chains
- 13
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Multidrug resistance protein mexa
- UniProt
- P52477
- Ligands
- 3GR
- Pockets
- 20 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G, H, I, J, K, L, M | Multidrug resistance protein mexa | protein | 231 | 30% helix, 34% strand | P52477 |
Ligands and binding sites
- 3GR · D-Glyceraldehyde · ligand · 9 copies · chains C, D, E, F, G, H, I, J, K, L
- GOL · Glycerol · additive · 4 copies · chains A, B, C, I, J, L, M
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 139 | 0.54 | 0.81 | 21 | empty |
| 2 | 143 | 0.54 | 0.81 | 19 | empty |
| 3 | 127 | 0.53 | 0.81 | 22 | empty |
| 4 | 134 | 0.53 | 0.81 | 18 | empty |
| 5 | 143 | 0.52 | 0.80 | 19 | empty |
Interfaces
25 interfaces between chains.
- L–M · 1627 Ų buried · 23 hydrogen bonds · protein-protein
- E–F · 1623 Ų buried · 21 hydrogen bonds · protein-protein
- I–J · 1613 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 1610 Ų buried · 21 hydrogen bonds · protein-protein
- J–K · 1609 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 1T5E · The structure of MexA · the same entry in another collection · chain M against M, 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 P52477
- Elsewhere: RCSB PDB 1T5E · PDBe 1T5E · UniProt P52477
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