MolNFT v1 · #177522 · protein + DNA
Crystal structure of hpar-DNA complex from acinetobacter baumannii
7EL3 · Homoprotocatechuate degradation operon regulator hpar: “Crystal structure of hpar-DNA complex from acinetobacter baumannii”. X-ray diffraction, 8 pockets (best druggability 0.76). MolNFT v1 #177522 on GenesisL1: 3D structure…
- PDB
- 7EL3
- Type
- protein + DNA
- Length
- 319 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Homoprotocatechuate degradation operon regulator hpar; Chains: C; Chains: D
- UniProt
- A0A4Q4GPX4
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 69% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Homoprotocatechuate degradation operon regulator hpar | protein | 138 | 68% helix, 13% strand | A0A4Q4GPX4 |
| B | Homoprotocatechuate degradation operon regulator hpar | protein | 135 | 70% helix, 13% strand | A0A4Q4GPX4 |
| C | Chains: C | dna | 23 | — | — |
| D | Chains: D | dna | 23 | — | — |
Ligands and binding sites
- GOL · Glycerol · additive · chains B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 952 | 0.76 | 0.79 | 86 | GOL |
| 2 | 215 | 0.63 | 0.82 | 32 | empty |
| 3 | 88 | 0.48 | 0.81 | 20 | empty |
| 4 | 127 | 0.47 | 0.78 | 20 | empty |
| 5 | 83 | 0.37 | 0.77 | 14 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2338 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 997 Ų buried · 80 hydrogen bonds · nucleic-nucleic
- B–D · 601 Ų buried · 7 hydrogen bonds · protein-nucleic
- A–C · 600 Ų buried · 8 hydrogen bonds · protein-nucleic
- B–C · 574 Ų buried · 7 hydrogen bonds · protein-nucleic
Compared structures
- 7EL3 · Crystal structure of HpaR-DNA complex 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 7EL3 · PDBe 7EL3 · UniProt A0A4Q4GPX4
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