MolNFT v1 · #112634 · protein
Crystal structure of mycobacterium tuberculosis lprg binding to triacylglyceride
4ZRA · Lipoprotein lprg: “Crystal structure of mycobacterium tuberculosis lprg binding to triacylglyceride”. X-ray diffraction, 1 ligand (4RF), 3 pockets (best druggability 0.80). MolNFT v1 #112634 on GenesisL1: 3D structure, binding sites…
- PDB
- 4ZRA
- Type
- protein
- Length
- 390 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipoprotein lprg
- UniProt
- P9WK45
- Ligands
- 4RF
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 19% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lipoprotein lprg | protein | 196 | 19% helix, 51% strand | P9WK45 |
| C | Lipoprotein lprg | protein | 194 | 19% helix, 50% strand | P9WK45 |
Ligands and binding sites
- 4RF · Tripalmitoylglycerol · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 500 | 0.80 | 0.86 | 51 | 4RF |
| 2 | 229 | 0.69 | 0.85 | 40 | empty |
| 3 | 637 | 0.67 | 0.76 | 81 | empty |
Interfaces
1 interface between chains.
- A–C · 419 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4ZRA · Crystal structure of mycobacterium tuberculosis lprg binding to triacylglyceride · the same entry in another collection · chain A against A, TM-score 1.00
- P9WK45 · AlphaFold monomer V2.0 prediction for lipoarabinomannan carrier protein lprg (P9WK45) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P9WK45
- Elsewhere: RCSB PDB 4ZRA · PDBe 4ZRA · UniProt P9WK45
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