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Crystal structure of cbmbc (family CBM26) from eubacterium rectale AMY13K

Analyse Crystal structure of cbmbc (family CBM26) from eubacterium rectale AMY13K in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6B15
Type
protein
Length
836 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
AMY13K
UniProt
D6DYI9
Pockets
6 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 43% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DAMY13Kprotein2090% helix, 43% strandD6DYI9

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 3 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15640.650.7655empty
24250.630.7757empty
33940.620.7755EDO
43820.610.7756empty
53110.600.7844empty

Interfaces

4 interfaces between chains.

  • B–D · 503 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 502 Ų buried · 10 hydrogen bonds · protein-protein
  • C–D · 501 Ų buried · 10 hydrogen bonds · protein-protein
  • A–C · 498 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 6B15 · Crystal structure of CBMbc (family CBM26) from Eubacterium rectale Amy13K · the same entry in another collection · chain A against A, TM-score 1.00

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