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5aqr

Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues

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

HEAT SHOCK COGNATE 71 KDA PROTEIN

HOMO SAPIENS

UniProt P11142

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 2 BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1 × 1 （Q99933） 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 6-methoxyquinazolin-4-amine × 1 GLYCEROL × 11 DIMETHYL SULFOXIDE × 4 water × 2 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 2 BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1 × 1 （Q99933） 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 6-methoxyquinazolin-4-amine × 1 GLYCEROL × 5 DIMETHYL SULFOXIDE × 1 CHLORIDE ION × 1 water × 2 Consistent with protein count
3 Protein heterocomplex Heteromer Protein 2 BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1 × 1 （Q99933） 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 6-methoxyquinazolin-4-amine × 1 GLYCEROL × 2 DIMETHYL SULFOXIDE × 2 water × 2 Consistent with protein count

Other States of the Same Protein in the Database

Monomer
3fzf 3fzh 3fzl 4h5n 4h5n 4h5r 4h5r 4h5t 4h5v 4h5w 4h5w 6b1i

19 assemblies; showing the first 12

Homodimer
4h5n 4h5r

2 assemblies

Homotetramer

None

Other homooligomers

None

Heteromeric or nucleic-acid complex
3agy 3agz 3esk 3fzk 3fzm 3ldq 3m3z 4hwi 4kbq 4kbq 5aqf 5aqf

46 assemblies; showing the first 12

View Construct and Data Evidence
UniProt name HSP7C_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 6–386； UniProt 1–381 Author chain C； PDBConstruct 6–386； UniProt 1–381 Author chain E； PDBConstruct 6–386； UniProt 1–381

BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1

HOMO SAPIENS

UniProt Q99933

State in the Current Structure

Assembly Physical composition Protein state Molecular copy count Associated components Data consistency
1 Protein heterocomplex Heteromer Protein 2 HEAT SHOCK COGNATE 71 KDA PROTEIN × 1 （P11142） 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 6-methoxyquinazolin-4-amine × 1 GLYCEROL × 11 DIMETHYL SULFOXIDE × 4 water × 2 Consistent with protein count
2 Protein heterocomplex Heteromer Protein 2 HEAT SHOCK COGNATE 71 KDA PROTEIN × 1 （P11142） 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 6-methoxyquinazolin-4-amine × 1 GLYCEROL × 5 DIMETHYL SULFOXIDE × 1 CHLORIDE ION × 1 water × 2 Consistent with protein count
3 Protein heterocomplex Heteromer Protein 2 HEAT SHOCK COGNATE 71 KDA PROTEIN × 1 （P11142） 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 6-methoxyquinazolin-4-amine × 1 GLYCEROL × 2 DIMETHYL SULFOXIDE × 2 water × 2 Consistent with protein count

Other States of the Same Protein in the Database

Monomer
1wxv 3fzf 3fzh 3fzl

4 assemblies

Homodimer

None

Homotetramer

None

Other homooligomers

None

Heteromeric or nucleic-acid complex
1hx1 3fzk 3fzm 3ldq 3m3z 5aqf 5aqf 5aqg 5aqg 5aqg 5aqh 5aqi

44 assemblies; showing the first 12

View Construct and Data Evidence
UniProt name BAG1_HUMAN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain B； PDBConstruct 6–118； UniProt 222–334 Author chain D； PDBConstruct 6–118； UniProt 222–334 Author chain F； PDBConstruct 6–118； UniProt 222–334

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_id5aqr
Deposition date deposition_date2015-09-22
Structure title titleFragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Keywords keywordsHEAT SHOCK PROTEIN, HSP70, HSP72, HSC70, ATPASE, BAG1, CHAPERONE, FRAGMENT; CHAPERONE
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.

5aqr__assembly_1__model_1

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

Download this curve (.dat)

5aqr__assembly_1__model_1 | I(q)

10-2 10-1 105 106 107 q (1/Angstrom) I(q)
100 plotted points; both axes use logarithmic scales.

5aqr__assembly_1__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）25.85 Å
Rg (electron density)25.05 Å
Total Rg25.87 Å
Atom count3871
Residues493
Excluded volume69182 ų
Maximum q0.500 Å⁻¹
Assembly Model Structure unit Oligomeric description Status CRYSOL Actions
1 1 5aqr__assembly_1__model_1 dimeric （2） Success 4.1.3-1-20251215 (887e7ef) View Download
2 1 5aqr__assembly_2__model_1 dimeric （2） Success 4.1.3-1-20251215 (887e7ef) View Download
3 1 5aqr__assembly_3__model_1 dimeric （2） 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 (8)

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6. Fold Classification (SCOP + CATH) 21 domains

SCOP 2.08 (6 domains)

Domain ID domain_idd5aqra1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.55 — Ribonuclease H-like motif
Superfamily Superfamily superfamilyc.55.1 — Actin-like ATPase domain
Family Family familyc.55.1.1 — Actin/HSP70
Domain ID domain_idd5aqra2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.55 — Ribonuclease H-like motif
Superfamily Superfamily superfamilyc.55.1 — Actin-like ATPase domain
Family Family familyc.55.1.1 — Actin/HSP70
Domain ID domain_idd5aqrc1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.55 — Ribonuclease H-like motif
Superfamily Superfamily superfamilyc.55.1 — Actin-like ATPase domain
Family Family familyc.55.1.1 — Actin/HSP70
Domain ID domain_idd5aqrc2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.55 — Ribonuclease H-like motif
Superfamily Superfamily superfamilyc.55.1 — Actin-like ATPase domain
Family Family familyc.55.1.1 — Actin/HSP70
Domain ID domain_idd5aqre1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.55 — Ribonuclease H-like motif
Superfamily Superfamily superfamilyc.55.1 — Actin-like ATPase domain
Family Family familyc.55.1.1 — Actin/HSP70
Domain ID domain_idd5aqre2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.55 — Ribonuclease H-like motif
Superfamily Superfamily superfamilyc.55.1 — Actin-like ATPase domain
Family Family familyc.55.1.1 — Actin/HSP70

CATH v4.4 (15 domains)

Domain ID domain_id5aqrA01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily40 — ATPase, nucleotide binding domain
Domain ID domain_id5aqrA02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology30 — Defensin A-like
Homologous superfamily homologous superfamily30 —
Domain ID domain_id5aqrA03
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily40 — ATPase, nucleotide binding domain
Domain ID domain_id5aqrA04
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology640 — Actin; Chain A, domain 4
Homologous superfamily homologous superfamily10 — ATPase, substrate binding domain, subdomain 4
Domain ID domain_id5aqrB00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
Homologous superfamily homologous superfamily120 — BAG domain
Domain ID domain_id5aqrC01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily40 — ATPase, nucleotide binding domain
Domain ID domain_id5aqrC02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology30 — Defensin A-like
Homologous superfamily homologous superfamily30 —
Domain ID domain_id5aqrC03
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily40 — ATPase, nucleotide binding domain
Domain ID domain_id5aqrC04
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology640 — Actin; Chain A, domain 4
Homologous superfamily homologous superfamily10 — ATPase, substrate binding domain, subdomain 4
Domain ID domain_id5aqrD00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
Homologous superfamily homologous superfamily120 — BAG domain
Domain ID domain_id5aqrE01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily40 — ATPase, nucleotide binding domain
Domain ID domain_id5aqrE02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology30 — Defensin A-like
Homologous superfamily homologous superfamily30 —
Domain ID domain_id5aqrE03
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily40 — ATPase, nucleotide binding domain
Domain ID domain_id5aqrE04
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology640 — Actin; Chain A, domain 4
Homologous superfamily homologous superfamily10 — ATPase, substrate binding domain, subdomain 4
Domain ID domain_id5aqrF00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
Homologous superfamily homologous superfamily120 — BAG domain
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7. Citations (1)