MolNFT v1 · #177521 · protein
Crystal structure of apo-hpar from acinetobacter baumannii
7EL2 · Homoprotocatechuate degradation operon regulator hpar: “Crystal structure of apo-hpar from acinetobacter baumannii”. X-ray diffraction, 2 pockets (best druggability 0.79). MolNFT v1 #177521 on GenesisL1: 3D structure, binding sites…
- PDB
- 7EL2
- Type
- protein
- Length
- 254 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Homoprotocatechuate degradation operon regulator hpar
- UniProt
- A0A4Q4GPX4
- Pockets
- 2 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 75% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Homoprotocatechuate degradation operon regulator hpar | protein | 126 | 75% helix, 8% strand | A0A4Q4GPX4 |
| B | Homoprotocatechuate degradation operon regulator hpar | protein | 128 | 75% helix, 8% strand | A0A4Q4GPX4 |
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 927 | 0.79 | 0.81 | 73 | empty |
| 2 | 59 | 0.32 | 0.76 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 905 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 7EL2 · Crystal structure of apo-HpaR from Acinetobacter baumannii · 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 A0A4Q4GPX4
- Elsewhere: RCSB PDB 7EL2 · PDBe 7EL2 · UniProt A0A4Q4GPX4
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