Research workbench
Crystal structure of the acyl-carrier-protein udp-N-acetylglucosamine O-acyltransferase lpxa from proteus mirabilis
Analyse Crystal structure of the acyl-carrier-protein udp-N-acetylglucosamine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6OSS
- Type
- protein
- Length
- 804 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
- B4F258
- Ligands
- SO4, PO3
- Pockets
- 9 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 19% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Acyl-[acyl-carrier-protein]--udp-N-acetylglucosamine O- acyltransferase (EC 2.3.1.129) | protein | 268 | 19% helix, 29% strand | B4F258 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 607 | 0.69 | 0.78 | 53 | SO4 |
| 2 | 472 | 0.67 | 0.79 | 46 | SO4 |
| 3 | 474 | 0.67 | 0.79 | 43 | SO4 |
| 4 | 170 | 0.46 | 0.75 | 29 | SO4 |
| 5 | 171 | 0.45 | 0.75 | 26 | SO4 |
Interfaces
3 interfaces between chains.
- A–C · 931 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 924 Ų buried · 12 hydrogen bonds · protein-protein
- B–C · 899 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 6OSS · Crystal Structure of the Acyl-Carrier-Protein UDP-N-Acetylglucosamine O-Acyltransferase… · the same entry in another collection · chain A against A, TM-score 1.00
- B4F258 · AlphaFold monomer V2.0 prediction for acyl-[acyl-carrier… · 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 B4F258
- Elsewhere: RCSB PDB 6OSS · PDBe 6OSS · UniProt B4F258
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