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MolNFT v1 · #30614 · protein

Deoxyribose-phosphate aldolase from P. yoelii

2A4A: “Deoxyribose-phosphate aldolase from P. yoelii”. X-ray diffraction, 6 pockets (best druggability 0.67). MolNFT v1 #30614 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2A4A
Type
protein
Length
497 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Deoxyribose-phosphate aldolase
EC
4.1.2.4
UniProt
Q7RMC9
Pockets
6 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADeoxyribose-phosphate aldolase (EC 4.1.2.4)protein25053% helix, 15% strandQ7RMC9
BDeoxyribose-phosphate aldolase (EC 4.1.2.4)protein24753% helix, 15% strandQ7RMC9

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15630.670.7752empty
22800.560.7638empty
31170.460.7927empty
41010.450.8019empty
51050.400.7622empty

Interfaces

1 interface between chains.

  • A–B · 396 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 2A4A · Deoxyribose-phosphate aldolase from P. yoelii · the same entry in another collection · chain A against A, TM-score 1.00

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