MolNFT v1 · #78800 · protein
Crystal structure of phenazine resistance protein ehpr from enterobacter agglomerans (erwinia herbicola, pantoea agglomerans) EH1087, apo form
3SK1: “Crystal structure of phenazine resistance protein ehpr from enterobacter agglomerans (erwinia herbicola…”. X-ray diffraction, 3 pockets (best druggability 0.73). MolNFT v1 #78800 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 3SK1
- Type
- protein
- Length
- 492 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ehpr
- UniProt
- Q8GPH6
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 3 distinct chains · 20% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ehpr | protein | 122 | 20% helix, 38% strand | Q8GPH6 |
| B | Ehpr | protein | 122 | 20% helix, 36% strand | Q8GPH6 |
| C, D | Ehpr | protein | 124 | 20% helix, 35% strand | Q8GPH6 |
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 815 | 0.73 | 0.78 | 89 | empty |
| 2 | 61 | 0.71 | 0.98 | 24 | empty |
| 3 | 54 | 0.70 | 0.98 | 23 | empty |
Interfaces
6 interfaces between chains.
- C–D · 2171 Ų buried · 29 hydrogen bonds · protein-protein
- A–B · 2108 Ų buried · 27 hydrogen bonds · protein-protein
- A–C · 78 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 61 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 46 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3SK1 · Crystal structure of phenazine resistance protein EhpR from Enterobacter agglomerans… · the same entry in another collection · chain D against D, TM-score 1.00
- Q8GPH6 · AlphaFold monomer V2.0 prediction for phenazine antibiotic resistance protein ehpr… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q8GPH6
- Elsewhere: RCSB PDB 3SK1 · PDBe 3SK1 · UniProt Q8GPH6
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