4f01

Crystal structure of an artificial dimeric DnaK complex

Method: X-RAY DIFFRACTION Dmax: 101.7 Å Quality: GOOD

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

Chaperone protein DnaK

Escherichia coli

UniProt P0A6Y8

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 monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain A; UniProt 389–607 Fragment:UNP residues 389-607 No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.4;292 K;2.9 M ammonium sulfate 0.1 M MES pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K Resolution 1.40 Å R-free 0.213
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain B; UniProt 389–607 Fragment:UNP residues 389-607 No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.4;292 K;2.9 M ammonium sulfate 0.1 M MES pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K Resolution 1.40 Å R-free 0.213
3 Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain A; UniProt 389–607 Chain B; UniProt 389–607 Fragment:UNP residues 389-607 No other associated polymer X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 6.4;292 K;2.9 M ammonium sulfate 0.1 M MES pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K Resolution 1.40 Å R-free 0.213

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.

52 other PDB entries and 123 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name DNAK_ECOLI
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 23–241; UniProt 389–607 Author chain B; PDBConstruct 23–241; UniProt 389–607

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 4f01

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4f01
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4f01
Deposition date deposition_date2012-05-03
Structure title titleCrystal structure of an artificial dimeric DnaK complex
Keywords keywordschaperone; CHAPERONE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier27.51
Radius of gyration Rg (electron density) rg_electron26.96
Forward intensity I(0) i043434000.00
Molecular weight molecular_weight48850.0 kDa
Excluded volume excluded_volume60389 ų
Envelope volume envelope_volume83332 ų
Hydration-shell volume shell_volume27492 ų
Envelope diameter envelope_diameter104.2
Shell Rg shell_rg32.12
Envelope Rg envelope_rg27.68
Shape Rg shape_rg26.99
Total Rg total_rg27.44
Total atoms total_atoms3423
Residues n_residues448
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 dmax101.7
Rg (real space) rg_real27.76
Rg uncertainty (real space) rg_real_error0.86
I(0) (real space) i0_real4.3430e+07
I(0) uncertainty (real space) i0_real_error6.4190e+05
Rg (reciprocal space) rg_reciprocal27.68
I(0) (reciprocal space) i0_reciprocal43430000.0000
Solution quality estimate total_estimate0.8104
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary31.6
Skewness Skewness skewness0.662
Kurtosis Kurtosis kurtosis0.329
Angular range angular_range— – 0.2900 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha4461000.0000
Real-space data points n_real_points59
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.574; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.885; Smooth: 0.924

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (2)

7. Fold Classification (SCOP + CATH) 10 domains

SCOP 2.08 (6 domains)

Domain ID domain_idd4f01a1
Class classb — All beta proteins
Fold Fold foldb.130 — Heat shock protein 70kD (HSP70), peptide-binding domain
Superfamily Superfamily superfamilyb.130.1 — Heat shock protein 70kD (HSP70), peptide-binding domain
Family Family familyb.130.1.1 — Heat shock protein 70kD (HSP70), peptide-binding domain
Domain ID domain_idd4f01a2
Class classa — All alpha proteins
Fold Fold folda.8 — immunoglobulin/albumin-binding domain-like
Superfamily Superfamily superfamilya.8.4 — Heat shock protein 70kD (HSP70), C-terminal subdomain
Family Family familya.8.4.1 — Heat shock protein 70kD (HSP70), C-terminal subdomain
Domain ID domain_idd4f01a3
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd4f01b1
Class classb — All beta proteins
Fold Fold foldb.130 — Heat shock protein 70kD (HSP70), peptide-binding domain
Superfamily Superfamily superfamilyb.130.1 — Heat shock protein 70kD (HSP70), peptide-binding domain
Family Family familyb.130.1.1 — Heat shock protein 70kD (HSP70), peptide-binding domain
Domain ID domain_idd4f01b2
Class classa — All alpha proteins
Fold Fold folda.8 — immunoglobulin/albumin-binding domain-like
Superfamily Superfamily superfamilya.8.4 — Heat shock protein 70kD (HSP70), C-terminal subdomain
Family Family familya.8.4.1 — Heat shock protein 70kD (HSP70), C-terminal subdomain
Domain ID domain_idd4f01b3
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags

CATH v4.4 (4 domains)

Domain ID domain_id4f01A01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology34 — Substrate Binding Domain Of DNAk; Chain A, domain 1
Homologous superfamily homologous superfamily10 — Substrate Binding Domain Of DNAk; Chain A, domain 1
Domain ID domain_id4f01A02
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology1270 — Substrate Binding Domain Of Dnak; Chain:A; Domain 2
Homologous superfamily homologous superfamily10
Domain ID domain_id4f01B01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology34 — Substrate Binding Domain Of DNAk; Chain A, domain 1
Homologous superfamily homologous superfamily10 — Substrate Binding Domain Of DNAk; Chain A, domain 1
Domain ID domain_id4f01B02
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology1270 — Substrate Binding Domain Of Dnak; Chain:A; Domain 2
Homologous superfamily homologous superfamily10

8. Citations (1)

9. Files and Curves (10)