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Melatonin biosynthesis: the structure of serotonin N- acetyltransferase at 2.5 a resolution suggests a catalytic mechanism

Analyse Melatonin biosynthesis: the structure of serotonin N- acetyltransferase at 2.5… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1B6B
Type
protein
Length
324 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (arylalkylamine N-acetyltransferase)
EC
2.3.1.87
UniProt
Q29495
Pockets
5 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 27% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein (arylalkylamine N-acetyltransferase) (EC 2.3.1.87)protein16826% helix, 30% strandQ29495
BProtein (arylalkylamine N-acetyltransferase) (EC 2.3.1.87)protein15627% helix, 33% strandQ29495

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12770.770.8931empty
22320.550.7735empty
31770.470.7623empty
4500.270.7515empty
5540.250.7218empty

Interfaces

1 interface between chains.

  • A–B · 598 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 1B6B · Melatonin biosynthesis: the structure of serotonin N-acetyltransferase at 2.5 a… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q29495 · AlphaFold monomer V2.0 prediction for serotonin N-acetyltransferase (Q29495) · a predicted model of the same protein · chain B against A, TM-score 0.92

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