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Structure of cellvibrio cellulosa alpha-L-arabinanase complexed with arabinohexaose

Analyse Structure of cellvibrio cellulosa alpha-L-arabinanase complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1GYE
Type
protein
Length
315 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Arabinan endo-1,5-alpha-L-arabinosidase a
EC
3.2.1.99
Ligands
AHR, CL
Pockets
2 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 5% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BArabinan endo-1,5-alpha-L-arabinosidase a (EC 3.2.1.99)protein3155% helix, 47% strand—

Ligands and binding sites

  • AHR · alpha-L-arabinofuranose · sugar · 6 copies · chains B
  • CL · Chloride ion · ion · chains 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12720.590.7834AHR
21840.490.7618empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 1GYE · Structure of Cellvibrio cellulosa alpha-L-arabinanase complexed with Arabinohexaose · the same entry in another collection · chain B against B, TM-score 1.00

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