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Crystal structure of an acetyl xylan esterase alaxease

Analyse Crystal structure of an acetyl xylan esterase alaxease in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7DDY
Type
protein
Length
796 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
G-D-S-L family lipolytic protein
UniProt
A0A2Z4G9P0
Pockets
3 · best druggability 0.69

Structure

x-ray diffraction · 3 distinct chains · 51% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
DG-D-S-L family lipolytic proteinprotein19851% helix, 14% strandA0A2Z4G9P0
A, CG-D-S-L family lipolytic proteinprotein19951% helix, 15% strandA0A2Z4G9P0
BG-D-S-L family lipolytic proteinprotein20050% helix, 15% strandA0A2Z4G9P0

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17880.690.7679empty
26940.680.7755empty
31740.500.7824empty

Interfaces

5 interfaces between chains.

  • B–C · 779 Ų buried · 15 hydrogen bonds · protein-protein
  • D–C · 476 Ų buried · 6 hydrogen bonds · protein-protein
  • D–A · 289 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 240 Ų buried · 4 hydrogen bonds · protein-protein
  • D–B · 34 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 7DDY · Crystal structure of an acetyl xylan esterase AlAXEase · the same entry in another collection · chain D against D, TM-score 1.00

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