GL1X · GenesisL1 explorer

MolNFT v1 · #102537 · protein

Crystal structure of beta-1,4-D-mannanase from cryptopygus antarcticus

4OOU · Beta-1,4-mannanase: “Crystal structure of beta-1,4-D-mannanase from cryptopygus antarcticus”. X-ray diffraction, 1 pocket (best druggability 0.78). MolNFT v1 #102537 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4OOU
Type
protein
Length
731 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-1,4-mannanase
EC
3.2.1.78
UniProt
B4XC07
Pockets
1 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BBeta-1,4-mannanase (EC 3.2.1.78)protein36732% helix, 20% strandB4XC07
ABeta-1,4-mannanase (EC 3.2.1.78)protein36432% helix, 20% strandB4XC07

Ligands and binding sites

  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains B, 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
110490.780.80100TRS

Interfaces

1 interface between chains.

  • B–A · 626 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 4OOU · Crystal structure of beta-1,4-D-mannanase from Cryptopygus antarcticus · the same entry in another collection · chain B against B, TM-score 1.00
  • B4XC07 · AlphaFold monomer V2.0 prediction for mannan endo-1,4-beta- mannosidase (B4XC07) · a predicted model of the same protein · chain A against A, TM-score 0.99

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