MolNFT v1 · #31643 · protein
Crystal structure of unphosphorylated chey bound to the N- terminus of flim
2B1J · Chemotaxis protein chey: “Crystal structure of unphosphorylated chey bound to the N- terminus of flim”. X-ray diffraction, 1 ligand (MG), 2 pockets (best druggability 0.51). MolNFT v1 #31643 on GenesisL1: 3D structure, binding sites…
- PDB
- 2B1J
- Type
- protein
- Length
- 286 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chemotaxis protein chey; Flagellar motor switch protein flim
- UniProt
- P0AE67, P06974
- Ligands
- MG
- Pockets
- 2 · best druggability 0.51
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Chemotaxis protein chey | protein | 128 | 43% helix, 18% strand | P0AE67 |
| C, D | Flagellar motor switch protein flim | protein | 15 | 53% helix, 7% strand | P06974 |
Ligands and binding sites
- MG · Magnesium ion · metal · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 118 | 0.51 | 0.81 | 17 | empty |
| 2 | 61 | 0.39 | 0.80 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–C · 552 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 542 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 504 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 2B1J · Crystal Structure of Unphosphorylated CheY Bound to the N-Terminus of FliM · the same entry in another collection · chain D against D, TM-score 1.00
- P0AE67 · AlphaFold monomer V2.0 prediction for chemotaxis protein chey (P0AE67) · a predicted model of the same protein · chain B against A, TM-score 0.99
- P06974 · AlphaFold monomer V2.0 prediction for flagellar motor switch protein flim (P06974) · a predicted model of the same protein · chain C against A, TM-score 0.47
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
- Every structure of UniProt P06974
- Elsewhere: RCSB PDB 2B1J · PDBe 2B1J · UniProt P0AE67 · UniProt P06974
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