Research workbench
Structure of cutc choline lyase choline free form from klebsiella pneumoniae
Analyse Structure of cutc choline lyase choline free form from klebsiella pneumoniae in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5A0Z
- Type
- protein
- Length
- 2,952 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Choline trimethylamine lyase
- Pockets
- 20 · best druggability 0.82
Structure
x-ray diffraction · 4 distinct chains · 48% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Choline trimethylamine lyase | protein | 750 | 47% helix, 9% strand | — |
| B | Choline trimethylamine lyase | protein | 746 | 48% helix, 9% strand | — |
| C | Choline trimethylamine lyase | protein | 746 | 48% helix, 8% strand | — |
| D | Choline trimethylamine lyase | protein | 710 | 49% helix, 8% strand | — |
Pockets
20 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 777 | 0.82 | 0.85 | 103 | empty |
| 2 | 1061 | 0.82 | 0.83 | 71 | empty |
| 3 | 1192 | 0.80 | 0.82 | 75 | empty |
| 4 | 1130 | 0.77 | 0.79 | 103 | empty |
| 5 | 1026 | 0.77 | 0.79 | 91 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1403 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1249 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 874 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 874 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 5A0Z · Structure of cutc choline lyase choline free form from klebsiella pneumoniae · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 5A0Z · PDBe 5A0Z
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