MolNFT v1 · #141448 · protein
Crystal structure of crotonase from clostridium acetobutylicum
5Z7R · Short-chain-enoyl-CoA hydratase: “Crystal structure of crotonase from clostridium acetobutylicum”. X-ray diffraction, 8 pockets (best druggability 0.85). MolNFT v1 #141448 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5Z7R
- Type
- protein
- Length
- 762 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Short-chain-enoyl-CoA hydratase
- EC
- 4.2.1.150
- UniProt
- P52046
- Pockets
- 8 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Short-chain-enoyl-CoA hydratase (EC 4.2.1.150) | protein | 254 | 55% helix, 17% strand | P52046 |
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 812 | 0.85 | 0.88 | 84 | empty |
| 2 | 236 | 0.59 | 0.80 | 36 | empty |
| 3 | 173 | 0.57 | 0.81 | 32 | empty |
| 4 | 157 | 0.57 | 0.81 | 28 | empty |
| 5 | 103 | 0.43 | 0.77 | 16 | empty |
Interfaces
3 interfaces between chains.
- B–C · 2154 Ų buried · 32 hydrogen bonds · protein-protein
- A–C · 2119 Ų buried · 32 hydrogen bonds · protein-protein
- A–B · 2108 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 5Z7R · Crystal structure of crotonase from Clostridium acetobutylicum · the same entry in another collection · chain A against A, TM-score 1.00
- P52046 · AlphaFold monomer V2.0 prediction for short-chain-enoyl-CoA hydratase (P52046) · 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 P52046
- Elsewhere: RCSB PDB 5Z7R · PDBe 5Z7R · UniProt P52046
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