› 3etc

X-ray diffraction
2.1Å resolution

2.1 A structure of acyl-adenylate synthetase from Methanosarcina acetivorans containing a link between Lys256 and Cys298

Released:
DOI: 10.2210/pdb3etc/pdb
PDB entry 3etc coloured by chain, front view.
PDB entry 3etc coloured by chain, side view.
PDB entry 3etc coloured by chain, top view.
Source organism: Methanosarcina acetivorans
Primary publication:
The 2.1 A crystal structure of an acyl-CoA synthetase from Methanosarcina acetivorans reveals an alternate acyl-binding pocket for small branched acyl substrates.
Shah MB, Ingram-Smith C, Cooper LL, Qu J, Meng Y, Smith KS, Gulick AM
Proteins 77 685-98 (2009)
PMID: 19544569

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
homo dimer
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-186284 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
AMP-binding protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 580 amino acids
Theoretical weight: 66.23 KDa
Source organism: Methanosarcina acetivorans
Expression system: Escherichia coli
UniProt:
  • Canonical: Q8TLW1 (Residues: 4-560; Coverage: 100%)
Gene name: MA_2912
Sequence domains:
Structure domains:

Ligands and Environments

7 bound ligands:
Ligand FOR 2 x FOR
Ligand PGE 3 x PGE
Ligand 1PE 2 x 1PE
Ligand EPE 3 x EPE
Ligand MG 2 x MG
Ligand NO3 2 x NO3
Ligand GOL 7 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P212121
Unit cell:
a: 91.699Å b: 96.371Å c: 141.543Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.177 0.175 0.207
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Trapping interactions between catalytic domains and carrier proteins of modular biosynthetic enzymes with chemical probes.
Gulick et al. (2018)
1 more

8 mentions without citation

Conformational dynamics in the Acyl-CoA synthetases, adenylation domains of non-ribosomal peptide synthetases, and firefly luciferase.
Gulick AM. (2009)
7 more