MolNFT v1 · #78001 · protein
Structure of the chey-BEF3 complex with substitutions at 59 and 89: N59D and E89R
3RVL · Chemotaxis protein chey: “Structure of the chey-BEF3 complex with substitutions at 59 and 89: N59D and E89R”. X-ray diffraction, 3 ligands (BEF, MN, SO4), 2 pockets (best druggability 0.40). MolNFT v1 #78001 on GenesisL1: 3D…
- PDB
- 3RVL
- Type
- protein
- Length
- 255 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chemotaxis protein chey
- UniProt
- P0AE67
- Ligands
- BEF, MN, SO4
- Pockets
- 2 · best druggability 0.40
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chemotaxis protein chey | protein | 128 | 45% helix, 16% strand | P0AE67 |
| B | Chemotaxis protein chey | protein | 127 | 42% helix, 17% strand | P0AE67 |
Ligands and binding sites
- BEF · Beryllium trifluoride ion · ligand · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 3 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 76 | 0.40 | 0.78 | 20 | empty |
| 2 | 50 | 0.35 | 0.79 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 601 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3RVL · Structure of the CheY-BeF3 Complex with substitutions at 59 and 89: N59D and E89R · the same entry in another collection · chain A against A, TM-score 1.00
- P0AE67 · AlphaFold monomer V2.0 prediction for chemotaxis protein chey (P0AE67) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P0AE67
- Elsewhere: RCSB PDB 3RVL · PDBe 3RVL · UniProt P0AE67
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