MolNFT v1 · #172251 · protein
Crystal structure of DNA-binding domain of ompr of two-component system of acinetobacter baumannii
6ZWT · Two-component response regulator: “Crystal structure of DNA-binding domain of ompr of two-component system of acinetobacter baumannii”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.68). MolNFT v1 #172251 on…
- PDB
- 6ZWT
- Type
- protein
- Length
- 405 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Two-component response regulator
- UniProt
- B0VPC9
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 37% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Two-component response regulator | protein | 106 | 40% helix, 25% strand | B0VPC9 |
| B, D | Two-component response regulator | protein | 99 | 35% helix, 26% strand | B0VPC9 |
| C | Two-component response regulator | protein | 101 | 36% helix, 26% strand | B0VPC9 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 3 copies · chains A, C, B, D
- GOL · Glycerol · additive · 2 copies · chains A, B, C, D
- PEG · Di(hydroxyethyl)ether · additive · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 328 | 0.68 | 0.82 | 32 | SO4, GOL |
| 2 | 52 | 0.49 | 0.86 | 15 | empty |
| 3 | 94 | 0.46 | 0.80 | 26 | SO4 |
| 4 | 95 | 0.42 | 0.78 | 15 | empty |
| 5 | 93 | 0.41 | 0.77 | 15 | empty |
Interfaces
4 interfaces between chains.
- A–C · 697 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 484 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 428 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 251 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6ZWT · Crystal structure of DNA-binding domain of OmpR of two-component system of Acinetobacter… · 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 B0VPC9
- Elsewhere: RCSB PDB 6ZWT · PDBe 6ZWT · UniProt B0VPC9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.