› 4xr4

X-ray diffraction
1.63Å resolution

Crystal Structure of the Homospermidine Synthase (HSS) from Blastochloris viridis in Complex with NAD and Agmatine

Released:
DOI: 10.2210/pdb4xr4/pdb
PDB entry 4xr4 coloured by chain, front view.
PDB entry 4xr4 coloured by chain, side view.
PDB entry 4xr4 coloured by chain, top view.
Source organism: Blastochloris viridis
Primary publication:
Comprehensive Structural Characterization of the Bacterial Homospermidine Synthase-an Essential Enzyme of the Polyamine Metabolism.
Krossa S, Faust A, Ober D, Scheidig AJ
Sci Rep 6 19501 (2016)
PMID: 26776105

Function and Biology Details

Reaction catalysed: 
2 putrescine = sym-homospermidine + NH(3)
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-128445 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Homospermidine synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 474 amino acids
Theoretical weight: 52.49 KDa
Source organism: Blastochloris viridis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O32323 (Residues: 3-476; Coverage: 99%)
Gene name: hss
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NAD 2 x NAD
4 bound ligands:
Ligand ACT 8 x ACT
Ligand SO4 4 x SO4
Ligand 1PS 4 x 1PS
Ligand AG2 3 x AG2
1 modified residue:
Ligand MHO 2 x MHO

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Unit cell:
a: 54.857Å b: 108.555Å c: 161.323Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.138 0.136 0.171
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 citation in other articles

Antibacterial Diamines Targeting Bacterial Membranes.
Wang et al. (2016)
5 more

1 mention without citation

Comprehensive Structural Characterization of the Bacterial Homospermidine Synthase-an Essential Enzyme of the Polyamine Metabolism.
Krossa et al. (2016)