› 5eks

X-ray diffraction
1.85Å resolution

Structure of 3-dehydroquinate synthase from Acinetobacter baumannii in complex with NAD

Released:
DOI: 10.2210/pdb5eks/pdb
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Source organism: Acinetobacter baumannii
Entry author: Seattle Structural Genomics Center for Infectious Disease (SSGCID)

Function and Biology Details

Reaction catalysed: 
3-deoxy-D-arabino-hept-2-ulosonate 7-phosphate = 3-dehydroquinate + phosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-197634 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-dehydroquinate synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 368 amino acids
Theoretical weight: 40.56 KDa
Source organism: Acinetobacter baumannii
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: V5V8R5 (Residues: 1-360; Coverage: 100%)
Gene names: A7M90_14345, ABR2091_3387, ABUW_0296, B9W25_02870, C5U34_01685, CBE85_06485, CPI82_03625, DWA16_04750, FQZ18_01480, G3N53_10860, GNY86_04860, GSE42_18535, IAG11_10030, IMO23_16570, J6E47_01555, LV35_02637, MKP18_003518, P9867_017265, P9867_05070, SAMEA104305318_00310, SAMEA4394745_00358, aroB
Sequence domains: 3-dehydroquinate synthase
Structure domains:

Ligands and Environments


Cofactor: Ligand NAD 2 x NAD
1 bound ligand:
Ligand MG 2 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P21
Unit cell:
a: 58.4Å b: 58.92Å c: 104.81Å
α: 90° β: 97.4° γ: 90°
R-values:
R R work R free
0.169 0.167 0.214
Expression system: Escherichia coli BL21(DE3)

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Experimental raw data

Links to raw experimental data available for this entry are listed below

Diffraction data related to PDB entry 5eks found at the Integrated Resource for Reproducibility in Macromolecular Crystallography (IRRMC)

Data DOI: 10.18430/M35EKS
Datasets: 1
Total size: 1.06Gb
Protein diffraction thumbnail