MolNFT v1 · #127304 · protein
Structure of the unmodified pcp-R didomain of carboxylic acid reductase (car) from segniliparus rugosus in complex with NADP, F2221 form
5MSP · Thioester reductase domain-containing protein: “Structure of the unmodified pcp-R didomain of carboxylic acid reductase (car) from segniliparus rugosus in…”. X-ray diffraction, 1 ligand (NAP), 3 pockets (best druggability 0.74).…
- PDB
- 5MSP
- Type
- protein
- Length
- 512 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioester reductase domain-containing protein
- UniProt
- E5XP76
- Ligands
- NAP
- Pockets
- 3 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioester reductase domain-containing protein | protein | 512 | 49% helix, 10% strand | E5XP76 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
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 | 1114 | 0.74 | 0.77 | 86 | NAP |
| 2 | 317 | 0.61 | 0.78 | 35 | empty |
| 3 | 52 | 0.34 | 0.78 | 16 | empty |
Compared structures
- 5MSP · Structure of the unmodified PCP-R didomain of carboxylic acid reductase (CAR) from… · 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 0.97
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 5MSP · PDBe 5MSP · UniProt E5XP76
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