MolNFT v1 · #22870 · protein
Crystal structure of E. COLI puta proline dehydrogenase domain (residues 86-669) complexed with L-tetrahydro-2-furoic acid
1TIW · Bifunctional puta protein: “Crystal structure of E. COLI puta proline dehydrogenase domain (residues 86-669) complexed with…”. X-ray diffraction, 2 ligands (FAD, TFB), 4 pockets (best druggability 0.83). MolNFT v1 #22870 on…
- PDB
- 1TIW
- Type
- protein
- Length
- 459 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional puta protein
- EC
- 1.5.99.8
- UniProt
- P09546
- Ligands
- FAD, TFB
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 56% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bifunctional puta protein (EC 1.5.99.8) | protein | 459 | 56% helix, 10% strand | P09546 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- TFB · Tetrahydrofuran-2-carboxylic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 454 | 0.83 | 0.91 | 42 | FAD, TFB |
| 2 | 169 | 0.53 | 0.79 | 25 | empty |
| 3 | 132 | 0.46 | 0.78 | 30 | empty |
| 4 | 86 | 0.35 | 0.75 | 15 | empty |
Compared structures
- 1TIW · Crystal structure of E. coli PutA proline dehydrogenase domain (residues 86-669)… · the same entry in another collection · chain A against A, TM-score 1.00
- P09546 · AlphaFold monomer V2.0 prediction for bifunctional protein puta (P09546) · a predicted model of the same protein · chain A against A, TM-score 0.90
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 P09546
- Elsewhere: RCSB PDB 1TIW · PDBe 1TIW · UniProt P09546
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