MolNFT v1 · #22440 · protein
Structural genomics, a protein from salmonella typhimurium similar to E. COLI acyl carrier protein phosphodiesterase
1T5B: “Structural genomics, a protein from salmonella typhimurium similar to E. COLI acyl carrier protein…”. X-ray diffraction, 1 ligand (FMN), 3 pockets (best druggability 0.65). MolNFT v1 #22440 on GenesisL1: 3D structure, binding sites…
- PDB
- 1T5B
- Type
- protein
- Length
- 397 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl carrier protein phosphodiesterase
- EC
- 3.1.4.14
- UniProt
- P63462
- Ligands
- FMN
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl carrier protein phosphodiesterase (EC 3.1.4.14) | protein | 199 | 44% helix, 21% strand | P63462 |
| B | Acyl carrier protein phosphodiesterase (EC 3.1.4.14) | protein | 198 | 44% helix, 21% strand | P63462 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 381 | 0.65 | 0.78 | 32 | FMN |
| 2 | 376 | 0.60 | 0.76 | 31 | FMN |
| 3 | 70 | 0.30 | 0.74 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1180 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 1T5B · Structural genomics, A protein from Salmonella typhimurium similar to E. coli acyl… · the same entry in another collection · chain A against A, TM-score 1.00
- P63462 · AlphaFold monomer V2.0 prediction for FMN-dependent NADH:QUINONE oxidoreductase (P63462) · 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 P63462
- Elsewhere: RCSB PDB 1T5B · PDBe 1T5B · UniProt P63462
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