MolNFT v1 · #121208 · protein
Crystal structrue of EST24, a carbohydrate acetylesterase from sinorhizobium meliloti
5HOE · Hydrolase: “Crystal structrue of EST24, a carbohydrate acetylesterase from sinorhizobium meliloti”. X-ray diffraction, 1 ligand (PO4), 5 pockets (best druggability 0.84). MolNFT v1 #121208 on GenesisL1: 3D structure, binding sites…
- PDB
- 5HOE
- Type
- protein
- Length
- 860 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydrolase
- UniProt
- Q92XZ6
- Ligands
- PO4
- Pockets
- 5 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Hydrolase | protein | 215 | 45% helix, 16% strand | Q92XZ6 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 4 copies · chains A, B, C, D
- P6G · Hexaethylene glycol · additive · 2 copies · chains B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1074 | 0.84 | 0.85 | 96 | PO4 |
| 2 | 364 | 0.62 | 0.78 | 42 | empty |
| 3 | 361 | 0.60 | 0.77 | 45 | empty |
| 4 | 149 | 0.53 | 0.80 | 24 | PO4 |
| 5 | 133 | 0.49 | 0.79 | 22 | PO4 |
Interfaces
5 interfaces between chains.
- A–B · 1419 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 1415 Ų buried · 16 hydrogen bonds · protein-protein
- B–C · 664 Ų buried · 9 hydrogen bonds · protein-protein
- A–D · 657 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 31 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5HOE · Crystal structrue of Est24, a carbohydrate acetylesterase from Sinorhizobium meliloti · 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 Q92XZ6
- Elsewhere: RCSB PDB 5HOE · PDBe 5HOE · UniProt Q92XZ6
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