Research workbench
Crystal structure of lpxk from aquifex aeolicus in complex with AMP- pcp at 2.1 ångström resolution
Analyse Crystal structure of lpxk from aquifex aeolicus in complex with AMP- pcp at 2.1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ITL
- Type
- protein
- Length
- 308 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
- ACP
- Pockets
- 2 · best druggability 0.76
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 | 308 | 30% helix, 26% strand | O67572 |
Ligands and binding sites
- ACP · Phosphomethylphosphonic acid adenylate ester · ligand · chains A
- GOL · Glycerol · additive · 3 copies · chains A
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 | 419 | 0.76 | 0.86 | 47 | ACP, GOL |
| 2 | 52 | 0.27 | 0.75 | 9 | empty |
Compared structures
- 4ITL · Crystal structure of LpxK from Aquifex aeolicus in complex with AMP-PCP at 2.1 angstrom… · 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 0.99
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 4ITL · PDBe 4ITL · UniProt O67572
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