MolNFT v1 · #27841 · protein
Crystal structure of caib mutant D169A in complex with coenzyme a
1XVU · Crotonobetainyl-COA:CARNITINE CoA-transferase: “Crystal structure of caib mutant D169A in complex with coenzyme a”. X-ray diffraction, 1 ligand (COA), 3 pockets (best druggability 0.65). MolNFT v1 #27841 on GenesisL1: 3D structure…
- PDB
- 1XVU
- Type
- protein
- Length
- 402 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Crotonobetainyl-COA:CARNITINE CoA-transferase
- EC
- 2.8.3.-
- UniProt
- P31572
- Ligands
- COA
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Crotonobetainyl-COA:CARNITINE CoA-transferase (EC 2.8.3.-) | protein | 402 | 38% helix, 17% strand | P31572 |
Ligands and binding sites
- COA · Coenzyme A · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 349 | 0.65 | 0.80 | 39 | COA |
| 2 | 90 | 0.43 | 0.79 | 18 | empty |
| 3 | 137 | 0.42 | 0.75 | 20 | empty |
Compared structures
- 1XVU · Crystal Structure of CaiB mutant D169A in complex with Coenzyme A · the same entry in another collection · chain A against A, TM-score 1.00
- P31572 · AlphaFold monomer V2.0 prediction for L-carnitine CoA-transferase (P31572) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P31572
- Elsewhere: RCSB PDB 1XVU · PDBe 1XVU · UniProt P31572
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