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X-ray diffraction
2Å resolution

X-RAY STRUCTURE OF YDII_ECOLI NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET ER29.

Released:
DOI: 10.2210/pdb1sbk/pdb
PDB entry 1sbk coloured by chain, front view.
PDB entry 1sbk coloured by chain, side view.
PDB entry 1sbk coloured by chain, top view.
Source organism: Escherichia coli
Entry authors: Kuzin AP, Edstrom W, Vorobiev SM, Lee I, Forouhar F, Ma L, Chiang Y, Rong X, Acton TB, Montelione GT, Hunt JF, Tong L, Northeast Structural Genomics Consortium (NESG)

Function and Biology Details

Reaction catalysed: 
1,4-dihydroxy-2-naphthoyl-CoA + H(2)O = 1,4-dihydroxy-2-naphthoate + CoA
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-160202 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
1,4-dihydroxy-2-naphthoyl-CoA hydrolase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 144 amino acids
Theoretical weight: 16.23 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P77781 (Residues: 1-136; Coverage: 100%)
Gene names: JW1676, b1686, menI, ydiI
Sequence domains: Thioesterase superfamily
Structure domains: Hotdog Thioesterase

Ligands and Environments

1 bound ligand:
Ligand SO4 4 x SO4
1 modified residue:
Ligand MSE 16 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X4A
Spacegroup: P21
Unit cell:
a: 46.642Å b: 61.196Å c: 93.008Å
α: 90° β: 104.66° γ: 90°
R-values:
R R work R free
0.223 0.223 0.272
Expression system: Escherichia coli BL21(DE3)

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