Research workbench
Crystal structure- P1 form- of escherichia COLI crotonobetainyl-CoA: carnitine CoA transferase (caib)
Analyse Crystal structure- P1 form- of escherichia COLI crotonobetainyl-CoA: carnitine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1XK6
- Type
- protein
- Length
- 1,608 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Crotonobetainyl-COA:CARNITINE CoA-transferase
- EC
- 2.8.3.-
- UniProt
- P31572
- Pockets
- 14 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Crotonobetainyl-COA:CARNITINE CoA-transferase (EC 2.8.3.-) | protein | 402 | 39% helix, 17% strand | P31572 |
Pockets
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 789 | 0.75 | 0.80 | 78 | empty |
| 2 | 588 | 0.74 | 0.81 | 58 | empty |
| 3 | 610 | 0.74 | 0.81 | 54 | empty |
| 4 | 643 | 0.74 | 0.80 | 66 | empty |
| 5 | 276 | 0.55 | 0.76 | 43 | empty |
Interfaces
5 interfaces between chains.
- A–C · 6258 Ų buried · 76 hydrogen bonds · protein-protein
- B–D · 6226 Ų buried · 76 hydrogen bonds · protein-protein
- A–D · 198 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 46 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 32 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 64 modified (engineered).
Compared structures
- 1XK6 · Crystal Structure- P1 form- of Escherichia coli Crotonobetainyl-CoA: carnitine CoA… · the same entry in another collection · chain D against D, TM-score 1.00
- P31572 · AlphaFold monomer V2.0 prediction for L-carnitine CoA-transferase (P31572) · a predicted model of the same protein · chain D 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 P31572
- Elsewhere: RCSB PDB 1XK6 · PDBe 1XK6 · UniProt P31572
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