MolNFT v1 · #38902 · protein
Crystal structure of the ethanolamine utilization protein eutn from escherichia COLI, nesg target ER316
2HD3: “Crystal structure of the ethanolamine utilization protein eutn from escherichia COLI, nesg target ER316”. X-ray diffraction, 14 pockets (best druggability 0.62). MolNFT v1 #38902 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 2HD3
- Type
- protein
- Length
- 1,110 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ethanolamine utilization protein eutn
- UniProt
- P0AEJ9
- Pockets
- 14 · best druggability 0.62
Structure
x-ray diffraction · 8 distinct chains · 6% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, G | Ethanolamine utilization protein eutn | protein | 96 | 10% helix, 48% strand | P0AEJ9 |
| B, E, H | Ethanolamine utilization protein eutn | protein | 97 | 7% helix, 51% strand | P0AEJ9 |
| C | Ethanolamine utilization protein eutn | protein | 84 | 4% helix, 58% strand | P0AEJ9 |
| F | Ethanolamine utilization protein eutn | protein | 79 | 0% helix, 57% strand | P0AEJ9 |
| I | Ethanolamine utilization protein eutn | protein | 88 | 5% helix, 53% strand | P0AEJ9 |
| J | Ethanolamine utilization protein eutn | protein | 91 | 7% helix, 53% strand | P0AEJ9 |
| K | Ethanolamine utilization protein eutn | protein | 95 | 8% helix, 52% strand | P0AEJ9 |
| L | Ethanolamine utilization protein eutn | protein | 94 | 9% helix, 50% strand | P0AEJ9 |
Pockets
14 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 172 | 0.62 | 0.84 | 25 | empty |
| 2 | 418 | 0.62 | 0.77 | 50 | empty |
| 3 | 91 | 0.53 | 0.84 | 20 | empty |
| 4 | 258 | 0.51 | 0.74 | 51 | empty |
| 5 | 141 | 0.46 | 0.77 | 23 | empty |
Interfaces
15 interfaces between chains.
- H–I · 1026 Ų buried · 20 hydrogen bonds · protein-protein
- G–H · 1012 Ų buried · 21 hydrogen bonds · protein-protein
- D–E · 993 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 983 Ų buried · 19 hydrogen bonds · protein-protein
- J–K · 972 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 36 modified (engineered).
Compared structures
- 2HD3 · Crystal Structure of the Ethanolamine Utilization Protein EutN from Escherichia coli… · the same entry in another collection · chain L against L, 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 P0AEJ9
- Elsewhere: RCSB PDB 2HD3 · PDBe 2HD3 · UniProt P0AEJ9
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