MolNFT v1 · #57220 · protein
Catalytic domain of histidine kinase thka (TM1359) (nucleotide free form 3: 1,2-propanediol, orthorombic)
3A0Y · Sensor protein: “Catalytic domain of histidine kinase thka (TM1359) (nucleotide free form 3: 1,2-propanediol, orthorombic)”. X-ray diffraction, 3 pockets (best druggability 0.70). MolNFT v1 #57220 on GenesisL1: 3D structure, binding…
- PDB
- 3A0Y
- Type
- protein
- Length
- 297 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sensor protein
- EC
- 2.7.13.3
- UniProt
- Q9X180
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sensor protein (EC 2.7.13.3) | protein | 147 | 37% helix, 32% strand | Q9X180 |
| B | Sensor protein (EC 2.7.13.3) | protein | 150 | 43% helix, 32% strand | Q9X180 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 536 | 0.70 | 0.79 | 52 | empty |
| 2 | 89 | 0.46 | 0.80 | 20 | empty |
| 3 | 105 | 0.46 | 0.79 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 604 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 3A0Y · Catalytic domain of histidine kinase ThkA (TM1359) (nucleotide free form 3… · 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 Q9X180
- Elsewhere: RCSB PDB 3A0Y · PDBe 3A0Y · UniProt Q9X180
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