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MolNFT v1 · #141406 · protein

Structure of periplasmic trehalase from diamondback moth gut bacteria in the apo form

5Z6H: “Structure of periplasmic trehalase from diamondback moth gut bacteria in the apo form”. X-ray diffraction, 1 ligand (SO4), 10 pockets (best druggability 0.71). MolNFT v1 #141406 on GenesisL1: 3D structure, binding sites and pockets…

PDB
5Z6H
Type
protein
Length
1,008 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Periplasmic trehalase
EC
3.2.1.28
UniProt
A0A156C5X3
Ligands
SO4
Pockets
10 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 51% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APeriplasmic trehalase (EC 3.2.1.28)protein50550% helix, 8% strandA0A156C5X3
BPeriplasmic trehalase (EC 3.2.1.28)protein50352% helix, 9% strandA0A156C5X3

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 10 copies · chains A, B
  • GOL · Glycerol · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15280.710.8037GOL
25140.690.7941GOL
38980.680.7487SO4
46040.670.7758empty
51420.410.7521empty

Interfaces

1 interface between chains.

  • A–B · 703 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 5Z6H · Structure of periplasmic trehalase from Diamondback moth gut bacteria in the apo form · the same entry in another collection · chain A against A, TM-score 1.00

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