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MolNFT v1 · #97182 · protein

Structure of a novel GH10 endoxylanase retrieved from sugarcane soil metagenome

4K68 · GH10 xylanase: “Structure of a novel GH10 endoxylanase retrieved from sugarcane soil metagenome”. X-ray diffraction, 4 pockets (best druggability 0.73). MolNFT v1 #97182 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4K68
Type
protein
Length
682 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GH10 xylanase
Pockets
4 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGH10 xylanaseprotein33742% helix, 18% strand—
BGH10 xylanaseprotein34544% helix, 18% strand—

Ligands and binding sites

  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19620.730.7778empty
21320.490.7925empty
31980.480.7527empty
4930.350.7417GOL

Interfaces

1 interface between chains.

  • A–B · 504 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 4K68 · Structure of a novel GH10 endoxylanase retrieved from sugarcane soil metagenome · the same entry in another collection · chain A against A, TM-score 1.00

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