› 7thq

X-ray diffraction
2.46Å resolution

Crystal structure of PltF trapped with PigG using a proline adenosine vinylsulfonamide inhibitor

Released:
DOI: 10.2210/pdb7thq/pdb
PDB entry 7thq coloured by chain, front view.
PDB entry 7thq coloured by chain, side view.
PDB entry 7thq coloured by chain, top view.
Source organisms:
Primary publication:
Essential Role of Loop Dynamics in Type II NRPS Biomolecular Recognition.
Corpuz JC, Patel A, Davis TD, Podust LM, McCammon JA, Burkart MD
ACS Chem Biol 17 2890-2898 (2022)
PMID: 36173802

Function and Biology Details

Reaction catalysed: 
(1a) ATP + L-proline = diphosphate + (L-prolyl)adenylate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175618 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
L-proline--[L-prolyl-carrier protein] ligase Chains: A, B
Molecule details ›
Chains: A, B
Length: 513 amino acids
Theoretical weight: 56.4 KDa
Source organism: Pseudomonas protegens Pf-5
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q4KCY5 (Residues: 1-498; Coverage: 100%)
Gene names: PFL_2792, pltF
Sequence domains:
Probable acyl carrier protein PigG Chains: C, E
Molecule details ›
Chains: C, E
Length: 95 amino acids
Theoretical weight: 10.69 KDa
Source organism: Prodigiosinella confusarubida
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q5W265 (Residues: 1-87; Coverage: 100%)
Gene name: pigG

Ligands and Environments

2 bound ligands:
Ligand AZI 6 x AZI
Ligand I5M 2 x I5M
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P212121
Unit cell:
a: 65.73Å b: 132.68Å c: 140.94Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.209 0.206 0.255
Expression system: Escherichia coli BL21

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