MolNFT v1 · #105377 · protein
Crystal structure analysis of lpxa, a udp-N-acetylglucosamine acyltransferase from bacteroides fragilis 9343
4R36 · Putative acyl-[acyl-carrier-protein]--udp-N…: “Crystal structure analysis of lpxa, a udp-N-acetylglucosamine acyltransferase from bacteroides fragilis 9343”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.75).…
- PDB
- 4R36
- Type
- protein
- Length
- 510 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative acyl-[acyl-carrier-protein]--udp-N- acetylglucosamine O-acyltransferase
- EC
- 2.3.1.129
- UniProt
- Q5LH16
- Ligands
- CA
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 17% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative acyl-[acyl-carrier-protein]--udp-N- acetylglucosamine O-acyltransferase (EC 2.3.1.129) | protein | 255 | 17% helix, 27% strand | Q5LH16 |
Ligands and binding sites
- CA · Calcium ion · metal · 3 copies · chains A, B
- PG0 · 2-(2-methoxyethoxy)ethanol · additive · 2 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
- PE5 · 3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol · additive · chains A, B
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 | 732 | 0.75 | 0.80 | 95 | PG0, CA |
| 2 | 56 | 0.31 | 0.76 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 718 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4R36 · Crystal structure analysis of LpxA, a UDP-N-acetylglucosamine acyltransferase from… · 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 Q5LH16
- Elsewhere: RCSB PDB 4R36 · PDBe 4R36 · UniProt Q5LH16
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