MolNFT v1 · #13880 · protein
A covalent modification of NADP+ revealed by the atomic resolution structure of fpra, a mycobacterium tuberculosis oxidoreductase
1LQT: “A covalent modification of NADP+ revealed by the atomic resolution structure of fpra, a mycobacterium…”. X-ray diffraction, 2 ligands (FAD, ODP), 7 pockets (best druggability 0.81). MolNFT v1 #13880 on GenesisL1: 3D structure…
- PDB
- 1LQT
- Type
- protein
- Length
- 906 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fpra
- UniProt
- O05783
- Ligands
- FAD, ODP
- Pockets
- 7 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fpra | protein | 452 | 38% helix, 21% strand | O05783 |
| B | Fpra | protein | 454 | 38% helix, 21% strand | O05783 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- ODP · 4-oxo-nicotinamide-adenine dinucleotide phosphate · ligand · 2 copies · chains A, B
- ACT · Acetate ion · additive · 11 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1127 | 0.81 | 0.82 | 125 | ACT, FAD, ODP |
| 2 | 1186 | 0.80 | 0.82 | 140 | ACT, FAD, ODP |
| 3 | 111 | 0.43 | 0.77 | 18 | empty |
| 4 | 83 | 0.40 | 0.78 | 17 | empty |
| 5 | 67 | 0.29 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1188 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 1LQT · A covalent modification of NADP+ revealed by the atomic resolution structure of FprA, a… · 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 O05783
- Elsewhere: RCSB PDB 1LQT · PDBe 1LQT · UniProt O05783
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