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MolNFT v1 · #10842 · protein

Crystal structure of aspartase from bacillus sp. YM55-1

1J3U: “Crystal structure of aspartase from bacillus sp. YM55-1”. X-ray diffraction, 12 pockets (best druggability 0.65). MolNFT v1 #10842 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1J3U
Type
protein
Length
924 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Aspartase
EC
4.3.1.1
UniProt
Q9LCC6
Pockets
12 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 60% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BAspartase (EC 4.3.1.1)protein46260% helix, 7% strandQ9LCC6

Pockets

12 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11820.650.8523empty
2920.610.8925empty
3830.530.8517empty
4700.500.8415empty
5740.480.8314empty

Interfaces

1 interface between chains.

  • A–B · 3370 Ų buried · 61 hydrogen bonds · protein-protein

Compared structures

  • 1J3U · Crystal structure of aspartase from Bacillus sp. YM55-1 · the same entry in another collection · chain A against A, TM-score 1.00

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