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MolNFT v1 · #53719 · protein

Structure of a polyisoprenoid binding domain from saccharophagus degradans implicated in plant cell wall breakdown

2X32 · Cellulose-binding protein: “Structure of a polyisoprenoid binding domain from saccharophagus degradans implicated in plant cell wall…”. X-ray diffraction, 1 ligand (OTP), 4 pockets (best druggability 0.85). MolNFT v1 #53719 on…

PDB
2X32
Type
protein
Length
350 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cellulose-binding protein
UniProt
Q21LI5
Ligands
OTP
Pockets
4 · best druggability 0.85

Structure

x-ray diffraction · 2 distinct chains · 21% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACellulose-binding proteinprotein17420% helix, 49% strandQ21LI5
BCellulose-binding proteinprotein17622% helix, 51% strandQ21LI5

Ligands and binding sites

  • OTP · (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl trihydrogen diphosphate · ligand · 2 copies · chains A, B
  • IMD · Imidazole · additive · 3 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
14230.850.9262OTP
24310.850.9262OTP
34340.700.8164IMD
41110.450.7926empty

Interfaces

1 interface between chains.

  • A–B · 743 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 2X32 · Structure of a polyisoprenoid binding domain from Saccharophagus degradans implicated in… · the same entry in another collection · chain A against A, TM-score 1.00

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