GL1X · GenesisL1 explorer

MolNFT v1 · #147084 · protein

Crystal structure of product-bound complex of SPERMIDINE/SPERMINE N- acetyltransferase speg

6E1X: “Crystal structure of product-bound complex of SPERMIDINE/SPERMINE N- acetyltransferase speg”. X-ray diffraction, 3 ligands (SPM, SP5, HLG). MolNFT v1 #147084 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6E1X
Type
protein
Length
1,027 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q9KL03
Ligands
SPM, SP5, HLG

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein170—Q9KL03
B—protein169—Q9KL03
C, D—protein176—Q9KL03
E, F—protein168—Q9KL03

Ligands and binding sites

  • SPM · Spermine · ligand · 6 copies · chains A, B, C, D, E
  • SP5 · N-[3-({4-[(3-aminopropyl)amino]butyl}amino) propyl]acetamide · ligand · 3 copies · chains A, E, B, F, D
  • HLG · N-{3-[(4-aminobutyl)amino]propyl}acetamide · ligand · chains C
  • MRD · (4R)-2-methylpentane-2,4-diol · additive · 5 copies · chains A, C, E, D
  • MPD · (4S)-2-methyl-2,4-pentanediol · additive · 3 copies · chains B, C, D
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, D, B

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

Compared structures

  • 6E1X · Crystal structure of product-bound complex of spermidine/spermine N-acetyltransferase SpeG · the same entry in another collection · chain F against F, TM-score 1.00
  • Q9KL03 · AlphaFold monomer V2.0 prediction for spermidine N(1)-acetyltransferase (Q9KL03) · a predicted model of the same protein · chain A against A, TM-score 0.99

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