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MolNFT v1 · #63045 · protein

Crystal structure of acetyltransferase from thermus thermophilus HB8

3EXN · Probable acetyltransferase: “Crystal structure of acetyltransferase from thermus thermophilus HB8”. X-ray diffraction, 2 ligands (ACO, CL), 2 pockets (best druggability 0.67). MolNFT v1 #63045 on GenesisL1: 3D structure, binding…

PDB
3EXN
Type
protein
Length
154 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Probable acetyltransferase
UniProt
Q5SLW7
Ligands
ACO, CL
Pockets
2 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProbable acetyltransferaseprotein15434% helix, 32% strandQ5SLW7

Ligands and binding sites

  • ACO · Acetyl coenzyme *A · ligand · chains A
  • CL · Chloride ion · ion · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12300.670.8429ACO
22090.510.7620empty

Modifications

Observed in the structure: 2 modified (engineered).

Compared structures

  • 3EXN · Crystal structure of acetyltransferase from Thermus thermophilus HB8 · the same entry in another collection · chain A against A, TM-score 1.00

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