MolNFT v1 · #127307 · protein
Structure of the a-pcp didomain of carboxylic acid reductase (car) from segniliparus rugosus in complex with AMP
5MSS · 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, 2 ligands (AMP, NA), 7 pockets (best druggability…
- PDB
- 5MSS
- Type
- protein
- Length
- 717 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, NA
- Pockets
- 7 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioester reductase domain-containing protein | protein | 717 | 42% helix, 21% strand | E5XP76 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1056 | 0.87 | 0.88 | 129 | AMP |
| 2 | 327 | 0.66 | 0.81 | 39 | empty |
| 3 | 471 | 0.65 | 0.78 | 41 | empty |
| 4 | 221 | 0.61 | 0.81 | 31 | empty |
| 5 | 293 | 0.60 | 0.79 | 37 | empty |
Compared structures
- 5MSS · 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 0.74
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 5MSS · PDBe 5MSS · UniProt E5XP76
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