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The structure of aspergillus niger endoglucanase-palladium complex

Analyse The structure of aspergillus niger endoglucanase-palladium complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1KS4
Type
protein
Length
223 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endoglucanase a
EC
3.2.1.4
UniProt
O74705
Ligands
PD
Pockets
1 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 60% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndoglucanase a (EC 3.2.1.4)protein2237% helix, 60% strandO74705

Ligands and binding sites

  • PD · Palladium ion · metal · 3 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13310.580.7641PD

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 1KS4 · The structure of Aspergillus niger endoglucanase-palladium complex · the same entry in another collection · chain A against A, TM-score 1.00

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