MolNFT v1 · #127311 · protein
Structure of the a-pcp didomain of carboxylic acid reductase (car) from segniliparus rugosus in complex with AMP
5MSW · Thioester reductase domain-containing protein: “Structure of the a-pcp didomain of carboxylic acid reductase (car) from segniliparus rugosus in complex with…”. X-ray diffraction, 1 ligand (AMP), 6 pockets (best druggability 0.86).…
- PDB
- 5MSW
- Type
- protein
- Length
- 715 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioester reductase domain-containing protein
- UniProt
- E5XP76
- Ligands
- AMP
- Pockets
- 6 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioester reductase domain-containing protein | protein | 715 | 44% helix, 22% strand | E5XP76 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 982 | 0.86 | 0.87 | 125 | AMP |
| 2 | 382 | 0.65 | 0.79 | 38 | empty |
| 3 | 65 | 0.50 | 0.85 | 22 | empty |
| 4 | 94 | 0.36 | 0.75 | 19 | empty |
| 5 | 51 | 0.35 | 0.79 | 14 | empty |
Compared structures
- 5MSW · Structure of the A-PCP didomain of carboxylic acid reductase (CAR) from Segniliparus… · the same entry in another collection · chain A against A, TM-score 1.00
- E5XP76 · AlphaFold monomer V2.0 prediction for carboxylic acid reductase (E5XP76) · a predicted model of the same protein · chain A against A, TM-score 0.92
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 E5XP76
- Elsewhere: RCSB PDB 5MSW · PDBe 5MSW · UniProt E5XP76
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