MolNFT v1 · #27452 · protein
Crystal structure- C2 form- of escherichia COLI crotonobetainyl-CoA: carnitine CoA transferase (caib)
1XK7 · Crotonobetainyl-COA:CARNITINE CoA-transferase: “Crystal structure- C2 form- of escherichia COLI crotonobetainyl-CoA: carnitine CoA transferase (caib)”. X-ray diffraction, 14 pockets (best druggability 0.73). MolNFT v1 #27452 on…
- PDB
- 1XK7
- Type
- protein
- Length
- 1,221 residues
- Chains
- 3
- 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 0.73
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Crotonobetainyl-COA:CARNITINE CoA-transferase (EC 2.8.3.-) | protein | 407 | 38% 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 | 586 | 0.73 | 0.80 | 62 | empty |
| 2 | 701 | 0.73 | 0.79 | 64 | empty |
| 3 | 297 | 0.59 | 0.77 | 35 | empty |
| 4 | 413 | 0.59 | 0.75 | 33 | empty |
| 5 | 159 | 0.54 | 0.81 | 32 | empty |
Interfaces
3 interfaces between chains.
- B–C · 6286 Ų buried · 79 hydrogen bonds · protein-protein
- A–B · 487 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 427 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 51 modified (engineered).
Compared structures
- 1XK7 · Crystal Structure- C2 form- of Escherichia coli Crotonobetainyl-CoA: carnitine CoA… · 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 1XK7 · PDBe 1XK7 · UniProt P31572
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