MolNFT v1 · #127292 · protein
Structure of the a domain of carboxylic acid reductase (car) from nocardia iowensis in complex with AMP and benzoic acid
5MSD: “Structure of the a domain of carboxylic acid reductase (car) from nocardia iowensis in complex with AMP and…”. X-ray diffraction, 2 ligands (AMP, BEZ), 4 pockets (best druggability 0.85). MolNFT v1 #127292 on GenesisL1: 3D…
- PDB
- 5MSD
- Type
- protein
- Length
- 636 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Carboxylic acid reductase
- EC
- 1.2.1.-, 1.2.1.30
- UniProt
- Q6RKB1
- Ligands
- AMP, BEZ
- Pockets
- 4 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carboxylic acid reductase (EC 1.2.1.-, 1.2.1.30) | protein | 636 | 40% helix, 24% strand | Q6RKB1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1124 | 0.85 | 0.86 | 131 | AMP, BEZ |
| 2 | 337 | 0.66 | 0.81 | 35 | empty |
| 3 | 209 | 0.51 | 0.77 | 39 | empty |
| 4 | 84 | 0.44 | 0.80 | 21 | empty |
Compared structures
- 5MSD · Structure of the A domain of carboxylic acid reductase (CAR) from Nocardia iowensis in… · the same entry in another collection · chain A against A, TM-score 1.00
- Q6RKB1 · AlphaFold monomer V2.0 prediction for carboxylic acid reductase (Q6RKB1) · 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 Q6RKB1
- Elsewhere: RCSB PDB 5MSD · PDBe 5MSD · UniProt Q6RKB1
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