Research workbench
Structure of lpxa from acinetobacter baumannii at 1.8A resolution (P212121 form)
Analyse Structure of lpxa from acinetobacter baumannii at 1.8A resolution (P212121 form) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4E6T
- Type
- protein
- Length
- 791 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acyl-[acyl-carrier-protein]--udp-N-acetylglucosamine O- acyltransferase
- EC
- 2.3.1.129
- UniProt
- F0QHB3
- Pockets
- 10 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 17% helix, 28% 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 | 264 | 17% helix, 28% strand | F0QHB3 |
| B | Acyl-[acyl-carrier-protein]--udp-N-acetylglucosamine O- acyltransferase (EC 2.3.1.129) | protein | 269 | 16% helix, 27% strand | F0QHB3 |
| C | Acyl-[acyl-carrier-protein]--udp-N-acetylglucosamine O- acyltransferase (EC 2.3.1.129) | protein | 258 | 17% helix, 28% strand | F0QHB3 |
Ligands and binding sites
- FLC · Citrate anion · additive · 2 copies · chains B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 454 | 0.70 | 0.81 | 54 | empty |
| 2 | 403 | 0.65 | 0.79 | 43 | FLC |
| 3 | 393 | 0.65 | 0.79 | 40 | empty |
| 4 | 237 | 0.52 | 0.76 | 29 | empty |
| 5 | 180 | 0.47 | 0.76 | 29 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1023 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 961 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 934 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 4E6T · Structure of LpxA from Acinetobacter baumannii at 1.8A resolution (P212121 form) · the same entry in another collection · 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 F0QHB3
- Elsewhere: RCSB PDB 4E6T · PDBe 4E6T · UniProt F0QHB3
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