MolNFT v1 · #70362 · protein
Crystal structure of the extracellular domain of the putative histidine kinase MMHK1S-Z2
3LIA · Hypothetical sensory transduction histidine kinase: “Crystal structure of the extracellular domain of the putative histidine kinase MMHK1S-Z2”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.49). MolNFT v1 #70362…
- PDB
- 3LIA
- Type
- protein
- Length
- 525 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hypothetical sensory transduction histidine kinase
- UniProt
- Q8PSW8
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.49
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hypothetical sensory transduction histidine kinase | protein | 262 | 36% helix, 29% strand | Q8PSW8 |
| B | Hypothetical sensory transduction histidine kinase | protein | 263 | 35% helix, 29% strand | Q8PSW8 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 133 | 0.49 | 0.78 | 20 | BTB |
| 2 | 127 | 0.48 | 0.78 | 18 | BTB |
| 3 | 141 | 0.46 | 0.76 | 21 | empty |
| 4 | 117 | 0.44 | 0.77 | 18 | empty |
| 5 | 76 | 0.35 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1718 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 3LIA · Crystal Structure of the extracellular domain of the putative histidine kinase mmHK1S-Z2 · 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 Q8PSW8
- Elsewhere: RCSB PDB 3LIA · PDBe 3LIA · UniProt Q8PSW8
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