MolNFT v1 · #95554 · protein
Crystal structure of "apo" form lpxk from aquifex aeolicus in complex with ATP at 2.2 ångström resolution
4ITM · Tetraacyldisaccharide 4'-kinase: “Crystal structure of "apo" form lpxk from aquifex aeolicus in complex with ATP at 2.2 ångström resolution”. X-ray diffraction, 1 ligand (ATP), 4 pockets (best druggability 0.75). MolNFT v1 #95554 on…
- PDB
- 4ITM
- Type
- protein
- Length
- 315 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tetraacyldisaccharide 4'-kinase
- EC
- 2.7.1.130
- UniProt
- O67572
- Ligands
- ATP
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tetraacyldisaccharide 4'-kinase (EC 2.7.1.130) | protein | 315 | 30% helix, 26% strand | O67572 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 728 | 0.75 | 0.80 | 60 | ATP, MPD, GOL |
| 2 | 169 | 0.48 | 0.76 | 23 | empty |
| 3 | 70 | 0.31 | 0.75 | 14 | EPE |
| 4 | 61 | 0.29 | 0.74 | 11 | empty |
Compared structures
- 4ITM · Crystal structure of apo" form LpxK from Aquifex aeolicus in complex with ATP at 2.2… · the same entry in another collection · chain A against A, TM-score 1.00
- O67572 · AlphaFold monomer V2.0 prediction for tetraacyldisaccharide 4'-kinase (O67572) · a predicted model of the same protein · chain A against A, TM-score 0.92
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 O67572
- Elsewhere: RCSB PDB 4ITM · PDBe 4ITM · UniProt O67572
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.