MolNFT v1 · #61949 · protein
The crystal structure of a lipase-esterase related protein from clostridium acetobutylicum atcc 824
3E0X: “The crystal structure of a lipase-esterase related protein from clostridium acetobutylicum atcc 824”. X-ray diffraction, 1 ligand (OXE), 4 pockets (best druggability 0.73). MolNFT v1 #61949 on GenesisL1: 3D structure, binding sites…
- PDB
- 3E0X
- Type
- protein
- Length
- 488 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Lipase-esterase related protein
- UniProt
- Q97KV0
- Ligands
- OXE
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Lipase-esterase related protein | protein | 245 | 41% helix, 17% strand | Q97KV0 |
| B | Lipase-esterase related protein | protein | 243 | 42% helix, 17% strand | Q97KV0 |
Ligands and binding sites
- OXE · Ortho-xylene · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 59 | 0.73 | 0.98 | 23 | OXE |
| 2 | 219 | 0.51 | 0.76 | 33 | empty |
| 3 | 52 | 0.30 | 0.76 | 13 | empty |
| 4 | 62 | 0.30 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 366 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 3E0X · The crystal structure of a Lipase-esterase related protein from Clostridium… · 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
- Every structure of UniProt Q97KV0
- Elsewhere: RCSB PDB 3E0X · PDBe 3E0X · UniProt Q97KV0
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