MolNFT v1 · #50062 · protein
Crystal structure of a domain of the sensory box sensor histidine KINASE/RESPONSE regulator from geobacter sulfurreducens
2R78 · Sensor protein: “Crystal structure of a domain of the sensory box sensor histidine KINASE/RESPONSE regulator from geobacter…”. X-ray diffraction, 3 pockets (best druggability 0.69). MolNFT v1 #50062 on GenesisL1: 3D structure…
- PDB
- 2R78
- Type
- protein
- Length
- 460 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sensor protein
- EC
- 2.7.13.3
- UniProt
- Q74DN1
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 3 distinct chains · 30% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sensor protein (EC 2.7.13.3) | protein | 114 | 31% helix, 31% strand | Q74DN1 |
| B, D | Sensor protein (EC 2.7.13.3) | protein | 115 | 30% helix, 31% strand | Q74DN1 |
| C | Sensor protein (EC 2.7.13.3) | protein | 116 | 30% helix, 31% strand | Q74DN1 |
Ligands and binding sites
- ACT · Acetate ion · additive · 10 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 114 | 0.69 | 0.90 | 25 | ACT |
| 2 | 95 | 0.67 | 0.90 | 24 | ACT |
| 3 | 65 | 0.54 | 0.87 | 23 | ACT |
Interfaces
4 interfaces between chains.
- A–B · 1523 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 1433 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 385 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 188 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 2R78 · Crystal structure of a domain of the sensory box sensor histidine kinase/response… · 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 Q74DN1
- Elsewhere: RCSB PDB 2R78 · PDBe 2R78 · UniProt Q74DN1
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