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Crystal structure of 2-deoxyribose-5-phosphate aldolase (1-220) from streptococcus suis

Analyse Crystal structure of 2-deoxyribose-5-phosphate aldolase (1-220) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5DBU
Type
protein
Length
2,745 residues
Chains
13
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Deoxyribose-phosphate aldolase
EC
4.1.2.4
UniProt
D5AHU8
Pockets
20 · best druggability 0.74

Structure

x-ray diffraction · 6 distinct chains · 45% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, H, IDeoxyribose-phosphate aldolase (EC 4.1.2.4)protein21145% helix, 17% strandD5AHU8
B, GDeoxyribose-phosphate aldolase (EC 4.1.2.4)protein21047% helix, 17% strandD5AHU8
D, K, L, MDeoxyribose-phosphate aldolase (EC 4.1.2.4)protein21246% helix, 17% strandD5AHU8
EDeoxyribose-phosphate aldolase (EC 4.1.2.4)protein20947% helix, 18% strandD5AHU8
FDeoxyribose-phosphate aldolase (EC 4.1.2.4)protein21043% helix, 16% strandD5AHU8
JDeoxyribose-phosphate aldolase (EC 4.1.2.4)protein21444% helix, 17% strandD5AHU8

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19730.740.7755empty
24760.670.7869empty
33390.630.7937empty
43010.610.7935empty
53680.590.7654empty

Interfaces

15 interfaces between chains.

  • C–D · 1366 Ų buried · 13 hydrogen bonds · protein-protein
  • K–L · 1365 Ų buried · 11 hydrogen bonds · protein-protein
  • I–J · 1363 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 1350 Ų buried · 12 hydrogen bonds · protein-protein
  • E–F · 1348 Ų buried · 11 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

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