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MolNFT v1 · #8677 · protein

Schiff-base complex of yeast 5-aminolaevulinic acid dehydratase with succinylacetone at 2.0 a resolution.

1H7R: “Schiff-base complex of yeast 5-aminolaevulinic acid dehydratase with succinylacetone at 2.0 a resolution.”. X-ray diffraction, 2 ligands (SHU, ZN), 3 pockets (best druggability 0.76). MolNFT v1 #8677 on GenesisL1: 3D structure…

PDB
1H7R
Type
protein
Length
342 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5-aminolaevulinic acid dehydratase
EC
4.2.1.24
UniProt
P05373
Ligands
SHU, ZN
Pockets
3 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A5-aminolaevulinic acid dehydratase (EC 4.2.1.24)protein34241% helix, 17% strandP05373

Ligands and binding sites

  • SHU · 4,6-dioxoheptanoic acid · ligand · chains A
  • ZN · Zinc ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11100.760.9529SHU
2780.390.7714empty
3710.310.7417empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 1H7R · Schiff-base complex of yeast 5-aminolaevulinic acid dehydratase with succinylacetone at… · the same entry in another collection · chain A against A, TM-score 1.00
  • P05373 · AlphaFold monomer V2.0 prediction for delta-aminolevulinic acid dehydratase (P05373) · a predicted model of the same protein · chain A against A, TM-score 0.97

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