MolNFT v1 · #31287 · protein
Structure of E. COLI lpxa with a bound peptide that is competitive with acyl-acp
2AQ9 · Acyl-[acyl-carrier-protein]--udp-N-acetylglucosamine O…: “Structure of E. COLI lpxa with a bound peptide that is competitive with acyl-acp”. X-ray diffraction, 1 ligand (PO4), 1 pocket (best druggability 0.36). MolNFT v1 #31287 on…
- PDB
- 2AQ9
- Type
- protein
- Length
- 274 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-[acyl-carrier-protein]--udp-N-acetylglucosamine O- acyltransferase; Peptide inhibitor
- EC
- 2.3.1.129
- UniProt
- P0A722
- Ligands
- PO4
- Pockets
- 1 · best druggability 0.36
Structure
x-ray diffraction · 2 distinct chains · 16% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acyl-[acyl-carrier-protein]--udp-N-acetylglucosamine O- acyltransferase (EC 2.3.1.129) | protein | 262 | 17% helix, 29% strand | P0A722 |
| X | Peptide inhibitor | protein | 12 | 0% helix, 50% strand | — |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 5 copies · chains A, X
- DMS · Dimethyl sulfoxide · additive · 22 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 63 | 0.36 | 0.78 | 18 | PO4 |
Interfaces
1 interface between chains.
- A–X · 325 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 2AQ9 · Structure of E. coli LpxA with a bound peptide that is competitive with acyl-ACP · the same entry in another collection · chain X against X, TM-score 1.00
- P0A722 · AlphaFold monomer V2.0 prediction for acyl-[acyl-carrier… · a predicted model of the same protein · chain A against A, TM-score 1.00
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 P0A722
- Elsewhere: RCSB PDB 2AQ9 · PDBe 2AQ9 · UniProt P0A722
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