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MolNFT v1 · #123840 · protein

Structure of a putative xyloglucanase from the cellulolytic bacteria streptomyces sp. sirexaa-E

5JWZ · Cellulose-binding family II: “Structure of a putative xyloglucanase from the cellulolytic bacteria streptomyces sp. sirexaa-E”. X-ray diffraction, 1 ligand (CA), 14 pockets (best druggability 0.84). MolNFT v1 #123840 on GenesisL1…

PDB
5JWZ
Type
protein
Length
1,447 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cellulose-binding family II
UniProt
G2NK78
Ligands
CA
Pockets
14 · best druggability 0.84

Structure

x-ray diffraction · 2 distinct chains · 3% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACellulose-binding family IIprotein7243% helix, 38% strandG2NK78
BCellulose-binding family IIprotein7232% helix, 39% strandG2NK78

Ligands and binding sites

  • CA · Calcium ion · metal · 3 copies · chains A, B
  • 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

14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13620.840.9336empty
23510.840.9338empty
310550.770.79104empty
42540.720.8748CA
52560.700.8554CA

Interfaces

1 interface between chains.

  • A–B · 734 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 modified (engineered).

Compared structures

  • 5JWZ · Structure of a Putative Xyloglucanase from the Cellulolytic Bacteria Streptomyces sp.… · the same entry in another collection · chain A against A, TM-score 1.00

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