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5iul

Crystal structure of the DesK-DesR complex in the phosphotransfer state with high Mg2+ (150 mM) and BeF3

Method: X-RAY DIFFRACTION
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Sensor histidine kinase DesK

Bacillus subtilis

UniProt O34757

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 3 Transcriptional regulatory protein DesR × 1 （O34723） PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 2 MAGNESIUM ION × 3 POTASSIUM ION × 2 water × 3 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 3 Transcriptional regulatory protein DesR × 1 （O34723） PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 2 MAGNESIUM ION × 3 water × 3 Consistent with protein count

Other States of the Same Protein in the Database

Monomer
3ehg

1 assemblies

Homodimer
3ehf 3ehf 3ehh 3ehj 3gie 3gif 3gig 5ium

8 assemblies

Homotetramer

None

Other homooligomers

None

Heteromeric or nucleic-acid complex
5iuj 5iuj 5iuk 5iuk 5iul 5iul 7ssi 7ssi 7ssj 7ssj

10 assemblies

View Construct and Data Evidence
UniProt name DESK_BACSU
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 2–218； UniProt 154–370 Author chain B； PDBConstruct 2–218； UniProt 154–370 Author chain D； PDBConstruct 2–218； UniProt 154–370 Author chain E； PDBConstruct 2–218； UniProt 154–370

Transcriptional regulatory protein DesR

Bacillus subtilis (strain 168)

UniProt O34723

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 3 Sensor histidine kinase DesK × 2 （O34757） PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 2 MAGNESIUM ION × 3 POTASSIUM ION × 2 water × 3 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 3 Sensor histidine kinase DesK × 2 （O34757） PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 2 MAGNESIUM ION × 3 water × 3 Consistent with protein count

Other States of the Same Protein in the Database

Monomer
4le1 4le1

2 assemblies

Homodimer
4ldz 4le0 4le0 4le1 4le2 4le2 4le2 4le2

8 assemblies

Homotetramer

None

Other homooligomers

None

Heteromeric or nucleic-acid complex
5iuj 5iuj 5iuk 5iuk 5iul 5iul 7ssi 7ssi 7ssj 7ssj

10 assemblies

View Construct and Data Evidence
UniProt name DESR_BACSU
Isoform —
PDB entities 2
Chains and sequence ranges Author chain C； PDBConstruct 5–139； UniProt 1–135 Author chain F； PDBConstruct 5–139； UniProt 1–135

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.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id5iul
Deposition date deposition_date2016-03-18
Structure title titleCrystal structure of the DesK-DesR complex in the phosphotransfer state with high Mg2+ (150 mM) and BeF3
Keywords keywordsTwo-component regulatory system, Kinase, Response regulator, Phosphotransfer complex, Phosphotransfer, TRANSFERASE; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION
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3. Official assembly/model SAXS Official SAXS Profiles

This page reads only the latest assembly calculations. Every curve maps to an explicit PDB entry, official biological assembly and coordinate model.

5iul__assembly_2__model_1

Assembly 2 · Model 1 · CRYSOL 4.1.3-1-20251215 (887e7ef)

Download this curve (.dat)

5iul__assembly_2__model_1 | I(q)

10-2 10-1 106 107 q (1/Angstrom) I(q)
100 plotted points; both axes use logarithmic scales.

5iul__assembly_2__model_1 | P(r) · Pending

The new assembly/model P(r) has not been calculated yet This placeholder does not display legacy data r (Angstrom) P(r)
P(r) will be calculated and displayed separately for the same assembly/model.
Rg（Guinier）31.29 Å
Rg (electron density)30.32 Å
Total Rg30.92 Å
Atom count4428
Residues552
Excluded volume78931 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 5iul__assembly_1__model_1 trimeric （3） Success 4.1.3-1-20251215 (887e7ef) View Download
2 1 5iul__assembly_2__model_1 trimeric （3） Success 4.1.3-1-20251215 (887e7ef) View Download
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4. Crystallography and Experiment 4. Crystallography & Experiment

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5. Entities and Polymers Entities & Polymers (6)

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6. Fold Classification (SCOP + CATH) 13 domains

SCOP 2.08 (3 domains)

Domain ID domain_idd5iulc1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.23 — Flavodoxin-like
Superfamily Superfamily superfamilyc.23.1 — CheY-like
Family Family familyc.23.1.0 — automated matches
Domain ID domain_idd5iulc2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags
Domain ID domain_idd5iulf_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.23 — Flavodoxin-like
Superfamily Superfamily superfamilyc.23.1 — CheY-like
Family Family familyc.23.1.0 — automated matches

CATH v4.4 (10 domains)

Domain ID domain_id5iulA01
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
Homologous superfamily homologous superfamily1930 —
Domain ID domain_id5iulA02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology565 — Heat Shock Protein 90
Homologous superfamily homologous superfamily10 — Histidine kinase-like ATPase, C-terminal domain
Domain ID domain_id5iulB01
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
Homologous superfamily homologous superfamily1930 —
Domain ID domain_id5iulB02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology565 — Heat Shock Protein 90
Homologous superfamily homologous superfamily10 — Histidine kinase-like ATPase, C-terminal domain
Domain ID domain_id5iulC00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily2300 — Response regulator
Domain ID domain_id5iulD01
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
Homologous superfamily homologous superfamily1930 —
Domain ID domain_id5iulD02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology565 — Heat Shock Protein 90
Homologous superfamily homologous superfamily10 — Histidine kinase-like ATPase, C-terminal domain
Domain ID domain_id5iulE01
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology5 — Single alpha-helices involved in coiled-coils or other helix-helix interfaces
Homologous superfamily homologous superfamily1930 —
Domain ID domain_id5iulE02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology565 — Heat Shock Protein 90
Homologous superfamily homologous superfamily10 — Histidine kinase-like ATPase, C-terminal domain
Domain ID domain_id5iulF00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily2300 — Response regulator
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7. Citations (1)