Research workbench
Gacs histidine kinase from pseudomonas aeruginosa
Analyse Gacs histidine kinase from pseudomonas aeruginosa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7Z8N
- Type
- protein
- Length
- 1,168 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histidine kinase
- EC
- 2.7.13.3
- UniProt
- G3XD98
- Ligands
- CA
- Pockets
- 9 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 63% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Histidine kinase (EC 2.7.13.3) | protein | 292 | 63% helix, 19% strand | G3XD98 |
Ligands and binding sites
- CA · Calcium ion · metal · 3 copies · chains A, B
- PGR · R-1,2-propanediol · additive · 3 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 313 | 0.71 | 0.84 | 43 | empty |
| 2 | 178 | 0.59 | 0.82 | 28 | empty |
| 3 | 135 | 0.58 | 0.83 | 26 | empty |
| 4 | 297 | 0.51 | 0.74 | 34 | empty |
| 5 | 242 | 0.46 | 0.73 | 28 | empty |
Interfaces
6 interfaces between chains.
- A–D · 2528 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 2485 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 747 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 721 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 543 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 7Z8N · GacS histidine kinase from Pseudomonas aeruginosa · 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 G3XD98
- Elsewhere: RCSB PDB 7Z8N · PDBe 7Z8N · UniProt G3XD98
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