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MolNFT v1 · #10487 · protein

Crystal structure of xylanase from streptomyces olivaceoviridis E-86 complexed with glucose

1ISY · Endo-1,4-beta-D-xylanase: “Crystal structure of xylanase from streptomyces olivaceoviridis E-86 complexed with glucose”. X-ray diffraction, 1 ligand (BGC), 6 pockets (best druggability 0.68). MolNFT v1 #10487 on GenesisL1: 3D…

PDB
1ISY
Type
protein
Length
872 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endo-1,4-beta-D-xylanase
EC
3.2.1.8
UniProt
Q7SI98
Ligands
BGC
Pockets
6 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BEndo-1,4-beta-D-xylanase (EC 3.2.1.8)protein43632% helix, 24% strandQ7SI98

Ligands and binding sites

  • BGC · beta-D-glucopyranose · sugar · 4 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, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15710.680.7853empty
24010.650.7959empty
35250.640.7663empty
4810.350.7519empty
5640.330.7618empty

Interfaces

1 interface between chains.

  • A–B · 1086 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 10 disulfide (disulfide).

Compared structures

  • 1ISY · Crystal structure of xylanase from Streptomyces olivaceoviridis E-86 complexed with… · the same entry in another collection · chain A against A, TM-score 1.00

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