MolNFT v1 · #109984 · protein
Kinase and dimerization (P3P4) of the thermotoga maritima chea kinase
4XIV · Chemotaxis protein chea: “Kinase and dimerization (P3P4) of the thermotoga maritima chea kinase”. X-ray diffraction, 2 ligands (ACP, ADP), 6 pockets (best druggability 0.64). MolNFT v1 #109984 on GenesisL1: 3D structure, binding…
- PDB
- 4XIV
- Type
- protein
- Length
- 502 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chemotaxis protein chea
- EC
- 2.7.13.3
- UniProt
- Q56310
- Ligands
- ACP, ADP
- Pockets
- 6 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chemotaxis protein chea (EC 2.7.13.3) | protein | 250 | 50% helix, 18% strand | Q56310 |
| B | Chemotaxis protein chea (EC 2.7.13.3) | protein | 252 | 45% helix, 17% strand | Q56310 |
Ligands and binding sites
- ACP · Phosphomethylphosphonic acid adenylate ester · ligand · chains A
- ADP · Adenosine-5'-diphosphate · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 338 | 0.64 | 0.80 | 36 | ACP |
| 2 | 309 | 0.62 | 0.79 | 27 | ADP |
| 3 | 149 | 0.44 | 0.75 | 21 | empty |
| 4 | 52 | 0.42 | 0.83 | 14 | empty |
| 5 | 58 | 0.33 | 0.77 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 2447 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 4XIV · Kinase and Dimerization (P3P4) of the Thermotoga maritima CheA kinase · the same entry in another collection · chain A against A, TM-score 1.00
- Q56310 · AlphaFold monomer V2.0 prediction for chemotaxis protein chea (Q56310) · a predicted model of the same protein · chain A against A, TM-score 0.82
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 Q56310
- Elsewhere: RCSB PDB 4XIV · PDBe 4XIV · UniProt Q56310
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