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Structural basis for the sugar nucleotide and acyl chain selectivity of leptospira interrogans lpxa

Analyse Structural basis for the sugar nucleotide and acyl chain selectivity of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3HSQ
Type
protein
Length
777 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
Q8EZA6
Pockets
6 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 16% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CAcyl-[acyl-carrier-protein]--udp-N- acetylglucosamine O-acyltransferase (EC 2.3.1.129)protein25916% helix, 29% strandQ8EZA6

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17240.770.8256empty
21270.590.8421empty
3600.370.7913empty
4620.350.7717empty
5520.300.7613empty

Interfaces

2 interfaces between chains.

  • A–B · 490 Ų buried · 9 hydrogen bonds · protein-protein
  • A–C · 425 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 3HSQ · Structural Basis for the Sugar Nucleotide and Acyl Chain Selectivity of Leptospira… · the same entry in another collection · chain A against A, TM-score 1.00

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