MolNFT v1 · #181397 · protein
Crystal structure of a histidine kinase from burkholderia ambifaria MC40-6
7LTQ: “Crystal structure of a histidine kinase from burkholderia ambifaria MC40-6”. X-ray diffraction, 2 ligands (CO, SO4), 12 pockets (best druggability 0.76). MolNFT v1 #181397 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7LTQ
- Type
- protein
- Length
- 1,003 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histidine kinase
- UniProt
- B1Z136
- Ligands
- CO, SO4
- Pockets
- 12 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 56% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histidine kinase | protein | 256 | 55% helix, 17% strand | B1Z136 |
| B | Histidine kinase | protein | 248 | 57% helix, 18% strand | B1Z136 |
| C | Histidine kinase | protein | 250 | 56% helix, 17% strand | B1Z136 |
| D | Histidine kinase | protein | 249 | 56% helix, 17% strand | B1Z136 |
Ligands and binding sites
- CO · Cobalt (II) ion · metal · chains C
- SO4 · Sulfate ion · ion · 6 copies · chains A, B, C, D
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1083 | 0.76 | 0.78 | 92 | SO4, EDO |
| 2 | 51 | 0.68 | 0.97 | 16 | empty |
| 3 | 57 | 0.67 | 0.95 | 15 | empty |
| 4 | 397 | 0.63 | 0.78 | 52 | empty |
| 5 | 372 | 0.63 | 0.78 | 49 | empty |
Interfaces
3 interfaces between chains.
- A–C · 2266 Ų buried · 14 hydrogen bonds · protein-protein
- B–D · 2188 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1298 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 7LTQ · Crystal Structure of a histidine kinase from Burkholderia ambifaria MC40-6 · 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 B1Z136
- Elsewhere: RCSB PDB 7LTQ · PDBe 7LTQ · UniProt B1Z136
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