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MolNFT v1 · #19554 · protein

The 3-D structure of a trichoderma reesei B-mannanase from glycoside hydrolase family 5

1QNQ · Endo-1,4-B-D-mannanase: “The 3-D structure of a trichoderma reesei B-mannanase from glycoside hydrolase family 5”. X-ray diffraction, 3 ligands (TPT, NAG, SO4), 1 pocket (best druggability 0.41). MolNFT v1 #19554 on GenesisL1: 3D…

PDB
1QNQ
Type
protein
Length
344 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Endo-1,4-B-D-mannanase
EC
3.2.1.78
UniProt
Q99036
Ligands
TPT, NAG, SO4
Pockets
1 · best druggability 0.41

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndo-1,4-B-D-mannanase (EC 3.2.1.78)protein34438% helix, 18% strandQ99036

Ligands and binding sites

  • TPT · 2,2':6',2''-TERPYRIDINE PLATINUM(II) Chloride · ligand · 2 copies · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A
  • SO4 · Sulfate ion · ion · 2 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11290.410.7520TPT

Modifications

Observed in the structure: 4 disulfide, 4 glycan (disulfide, N-glycosylation).

Compared structures

  • 1QNQ · The 3-D structure of a Trichoderma reesei b-mannanase from glycoside hydrolase family 5 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q99036 · AlphaFold monomer V2.0 prediction for mannan endo-1,4-beta- mannosidase a (Q99036) · a predicted model of the same protein · chain A against A, TM-score 0.99

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