7l4l

Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C8-crypto Acyl Carrier Protein, AcpP

Method: X-RAY DIFFRACTION Dmax: 87.7 Å Quality: EXCELLENT

1. Protein Identity and Related Structures Protein Identity & Related Structures

3-oxoacyl-[acyl-carrier-protein] synthase 2

Escherichia coli (strain K12)

UniProt P0AAI5

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric(4) Consistent with protein copy count Chain A; UniProt 1–413 Chain B; UniProt 1–413 Not recorded Acyl carrier protein × 2 (P0A6A8) NA SODIUM ION × 2 DYF [(3~{R})-2,2-dimethyl-4-[[3-[2-[[(~{E})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.5;281 K;30 % PEG 8K, 0.1 M sodium cacodylate pH 6.5, and 0.3 M sodium acetate Resolution 2.65 Å R-free 0.267

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

16 other PDB entries and 16 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name FABF_ECOLI
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–413; UniProt 1–413 Author chain B; PDBConstruct 1–413; UniProt 1–413

Acyl carrier protein

Escherichia coli (strain K12)

UniProt P0A6A8

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 4 PDB declaration: tetrameric(4) Consistent with protein copy count Chain C; UniProt 1–78 Chain D; UniProt 1–78 Not recorded 3-oxoacyl-[acyl-carrier-protein] synthase 2 × 2 (P0AAI5) NA SODIUM ION × 2 DYF [(3~{R})-2,2-dimethyl-4-[[3-[2-[[(~{E})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.5;281 K;30 % PEG 8K, 0.1 M sodium cacodylate pH 6.5, and 0.3 M sodium acetate Resolution 2.65 Å R-free 0.267

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

39 other PDB entries and 69 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name ACP_ECOLI
Isoform
PDB entities 2
Chains and sequence ranges Author chain C; PDBConstruct 1–78; UniProt 1–78 Author chain D; PDBConstruct 1–78; UniProt 1–78

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 7l4l

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 7l4l
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id7l4l
Deposition date deposition_date2020-12-19
Structure title titleCrosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C8-crypto Acyl Carrier Protein, AcpP
Keywords keywordsThiolase, ketosynthase, KS, AcpP, ACP, TRANSFERASE; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier28.71
Radius of gyration Rg (electron density) rg_electron27.47
Forward intensity I(0) i0174215000.00
Molecular weight molecular_weight101680.0 kDa
Excluded volume excluded_volume125880 ų
Envelope volume envelope_volume148620 ų
Hydration-shell volume shell_volume42740 ų
Envelope diameter envelope_diameter89.8
Shell Rg shell_rg36.67
Envelope Rg envelope_rg27.95
Shape Rg shape_rg27.50
Total Rg total_rg28.19
Total atoms total_atoms7131
Residues n_residues972
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax87.7
Rg (real space) rg_real28.55
Rg uncertainty (real space) rg_real_error0.49
I(0) (real space) i0_real1.7420e+08
I(0) uncertainty (real space) i0_real_error2.4230e+06
Rg (reciprocal space) rg_reciprocal28.62
I(0) (reciprocal space) i0_reciprocal174200000.0000
Solution quality estimate total_estimate0.9058
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary36.7
Skewness Skewness skewness0.152
Kurtosis Kurtosis kurtosis-0.511
Angular range angular_range— – 0.2750 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha60600000.0000
Real-space data points n_real_points56
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.937; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.973

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

7. Fold Classification (SCOP + CATH) 2 domains

CATH v4.4 (2 domains)

Domain ID domain_id7l4lC01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology1200 — Non-ribosomal Peptide Synthetase Peptidyl Carrier Protein; Chain A
Homologous superfamily homologous superfamily10 — ACP-like
Domain ID domain_id7l4lD01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology1200 — Non-ribosomal Peptide Synthetase Peptidyl Carrier Protein; Chain A
Homologous superfamily homologous superfamily10 — ACP-like

8. Citations (1)

9. Files and Curves (10)