MolNFT v1 · #82707 · protein
Crystal structure of cyanobacteriochrome tepixj gaf domain
3VV4 · Methyl-accepting chemotaxis protein: “Crystal structure of cyanobacteriochrome tepixj gaf domain”. X-ray diffraction, 2 ligands (PVG, SO4), 3 pockets (best druggability 0.78). MolNFT v1 #82707 on GenesisL1: 3D structure, binding…
- PDB
- 3VV4
- Type
- protein
- Length
- 313 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methyl-accepting chemotaxis protein
- UniProt
- Q8DLC7
- Ligands
- PVG, SO4
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methyl-accepting chemotaxis protein | protein | 153 | 41% helix, 24% strand | Q8DLC7 |
| B | Methyl-accepting chemotaxis protein | protein | 160 | 40% helix, 23% strand | Q8DLC7 |
Ligands and binding sites
- PVG · Phycoviolobilin, green light-absorbing form · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 938 | 0.78 | 0.80 | 82 | PVG |
| 2 | 102 | 0.40 | 0.76 | 17 | empty |
| 3 | 54 | 0.33 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 171 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent, 1 disulfide (covalent ligand, disulfide).
Compared structures
- 3VV4 · Crystal structure of cyanobacteriochrome TePixJ GAF domain · 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 Q8DLC7
- Elsewhere: RCSB PDB 3VV4 · PDBe 3VV4 · UniProt Q8DLC7
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