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MolNFT v1 · #48452 · protein

Crystal structure of the T. brucei enolase complexed with sulphate, identification of a metal binding site IV

2PTW: “Crystal structure of the T. brucei enolase complexed with sulphate, identification of a metal binding site IV”. X-ray diffraction, 2 ligands (ZN, SO4), 2 pockets (best druggability 0.56). MolNFT v1 #48452 on GenesisL1: 3D structure…

PDB
2PTW
Type
protein
Length
406 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Enolase
EC
4.2.1.11
UniProt
Q38BV6
Ligands
ZN, SO4
Pockets
2 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEnolase (EC 4.2.1.11)protein40644% helix, 17% strandQ38BV6

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A
  • SO4 · Sulfate ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11490.560.8232ZN, SO4
2730.330.7522EDO

Compared structures

  • 2PTW · Crystal Structure of the T. brucei enolase complexed with sulphate, identification of a… · the same entry in another collection · chain A against A, TM-score 1.00

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