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Structure of thermotoga maritima GH5 endoglucanase TM1752 in complex with tris

Analyse Structure of thermotoga maritima GH5 endoglucanase TM1752 in complex with tris in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7EFZ
Type
protein
Length
648 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endoglucanase
UniProt
Q9X274
Pockets
4 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BEndoglucanaseprotein32436% helix, 19% strandQ9X274

Ligands and binding sites

  • IPA · Isopropyl alcohol · additive · 3 copies · chains A, B
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16530.690.7767TRS
25660.660.7776TRS
32450.550.7725empty
4530.330.7712IPA

Interfaces

1 interface between chains.

  • A–B · 579 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 7EFZ · Structure of Thermotoga maritima GH5 endoglucanase TM1752 in complex with TRIS · the same entry in another collection · chain A against A, TM-score 1.00

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