Research workbench
Structure of the a domain of carboxylic acid reductase (car) from nocardia iowensis in complex with AMP
Analyse Structure of the a domain of carboxylic acid reductase (car) from nocardia… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5MSC
- Type
- protein
- Length
- 635 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
- Pockets
- 5 · best druggability 0.86
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 | 635 | 40% helix, 24% strand | Q6RKB1 |
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
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1152 | 0.86 | 0.87 | 130 | AMP |
| 2 | 90 | 0.47 | 0.81 | 23 | empty |
| 3 | 61 | 0.44 | 0.83 | 17 | empty |
| 4 | 58 | 0.37 | 0.79 | 14 | empty |
| 5 | 81 | 0.36 | 0.76 | 16 | empty |
Compared structures
- 5MSC · 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 5MSC · PDBe 5MSC · UniProt Q6RKB1
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