3e76

Crystal structure of Wild-type GroEL with bound Thallium ions

Method: X-RAY DIFFRACTION

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

60 kDa chaperonin

Escherichia coli UTI89

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein homooligomer	Homooligomer	Protein 14	PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 14 THALLIUM (I) ION × 46 MAGNESIUM ION × 14	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	CH60_ECOUT
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–547； UniProt 2–548 Author chain B； PDBConstruct 1–547； UniProt 2–548 Author chain C； PDBConstruct 1–547； UniProt 2–548 Author chain D； PDBConstruct 1–547； UniProt 2–548 Author chain E； PDBConstruct 1–547； UniProt 2–548 Author chain F； PDBConstruct 1–547； UniProt 2–548 Author chain G； PDBConstruct 1–547； UniProt 2–548 Author chain H； PDBConstruct 1–547； UniProt 2–548 Author chain I； PDBConstruct 1–547； UniProt 2–548 Author chain J； PDBConstruct 1–547； UniProt 2–548 Author chain K； PDBConstruct 1–547； UniProt 2–548 Author chain L； PDBConstruct 1–547； UniProt 2–548 Author chain M； PDBConstruct 1–547； UniProt 2–548 Author chain N； PDBConstruct 1–547； UniProt 2–548

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_id	3e76
Deposition date deposition_date	2008-08-17
Structure title title	Crystal structure of Wild-type GroEL with bound Thallium ions
Keywords keywords	GroEL, HSP60, chaperonin, thallium, ATP-binding, Chaperone, Nucleotide-binding; CHAPERONE
Experimental Method method	X-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.

3e76__assembly_1__model_1

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

Download this curve (.dat)

3e76__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

3e76__assembly_1__model_1 | P(r) · Pending

P(r) will be calculated and displayed separately for the same assembly/model.

Rg（Guinier）	64.49 Å
Rg (electron density)	63.47 Å
Total Rg	63.51 Å
Atom count	54464
Residues	7336
Excluded volume	974300 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`3e76__assembly_1__model_1`	tetradecameric （14）	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 (4)

Entity 1 Entity 1 polymer

Description description	60 kDa chaperonin
Molecular weight formula_weight	57260.5 kDa
EC 编号 ec_number	3.6.4.9
Source method src_method	man
Copy count entity_count	14

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D,E,F,G,H,I,J,K,L,M,N
Atom count atom_count	54464

AAKDVKFGNDARVKMLRGVNVLADAVKVTLGPKGRNVVLDKSFGAPTITKDGVSVAREIELEDKFENMGAQMVKEVASKANDAAGDGTTTATVLAQAIITEGLKAVAAGMNPMDLKRGIDKAVTAAVEELKALSVPCSDSKAIAQVGTISANSDETVGKLIAEAMDKVGKEGVITVEDGTGLQDELDVVEGMQFDRGYLSPYFINKPETGAVELESPFILLADKKISNIREMLPVLEAVAKAGKPLLIIAEDVEGEALATLVVNTMRGIVKVAAVKAPGFGDRRKAMLQDIATLTGGTVISEEIGMELEKATLEDLGQAKRVVINKDTTTIIDGVGEEAAIQGRVAQIRQQIEEATSDYDREKLQERVAKLAGGVAVIKVGAATEVEMKEKKARVEDALHATRAAVEEGVVAGGGVALIRVASKLADLRGQNEDQNVGIKVALRAMEAPLRQIVLNCGEEPSVVANTVKGGDGNYGYNAATEEYGNMIDMGILDPTKVTRSALQYAASVAGLMITTECMVTDLPKNDAADLGAAGGMGGMGGMGGMM

Source Source

Source organism organism	Escherichia coli UTI89
NCBI taxonomy ID ncbi_taxonomy_id	364106
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
Molecular weight formula_weight	523.2 kDa
Source method src_method	syn
Copy count entity_count	14

Entity 3 Entity 3 non-polymer

Description description	THALLIUM (I) ION
Molecular weight formula_weight	204.4 kDa
Source method src_method	syn
Copy count entity_count	46

Entity 4 Entity 4 non-polymer

Description description	MAGNESIUM ION
Molecular weight formula_weight	24.3 kDa
Source method src_method	syn
Copy count entity_count	14

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6. Fold Classification (SCOP + CATH) 42 domains

CATH v4.4 (42 domains)

Domain ID domain_id	3e76A01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	560 — GROEL; domain 1
Homologous superfamily homologous superfamily	10 — GroEL-like equatorial domain

Domain ID domain_id	3e76A02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	260 — GROEL; domain 2
Homologous superfamily homologous superfamily	10 — TCP-1-like chaperonin intermediate domain

Domain ID domain_id	3e76A03
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	7 — GroEL
Homologous superfamily homologous superfamily	10 — GroEL

Domain ID domain_id	3e76B01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	560 — GROEL; domain 1
Homologous superfamily homologous superfamily	10 — GroEL-like equatorial domain

Domain ID domain_id	3e76B02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	260 — GROEL; domain 2
Homologous superfamily homologous superfamily	10 — TCP-1-like chaperonin intermediate domain

Domain ID domain_id	3e76B03
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	7 — GroEL
Homologous superfamily homologous superfamily	10 — GroEL

Domain ID domain_id	3e76C01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	560 — GROEL; domain 1
Homologous superfamily homologous superfamily	10 — GroEL-like equatorial domain

Domain ID domain_id	3e76C02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	260 — GROEL; domain 2
Homologous superfamily homologous superfamily	10 — TCP-1-like chaperonin intermediate domain

Domain ID domain_id	3e76C03
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	7 — GroEL
Homologous superfamily homologous superfamily	10 — GroEL

Domain ID domain_id	3e76D01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	560 — GROEL; domain 1
Homologous superfamily homologous superfamily	10 — GroEL-like equatorial domain

Domain ID domain_id	3e76D02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	260 — GROEL; domain 2
Homologous superfamily homologous superfamily	10 — TCP-1-like chaperonin intermediate domain

Domain ID domain_id	3e76D03
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	7 — GroEL
Homologous superfamily homologous superfamily	10 — GroEL

Domain ID domain_id	3e76E01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	560 — GROEL; domain 1
Homologous superfamily homologous superfamily	10 — GroEL-like equatorial domain

Domain ID domain_id	3e76E02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	260 — GROEL; domain 2
Homologous superfamily homologous superfamily	10 — TCP-1-like chaperonin intermediate domain

Domain ID domain_id	3e76E03
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	7 — GroEL
Homologous superfamily homologous superfamily	10 — GroEL

Domain ID domain_id	3e76F01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	560 — GROEL; domain 1
Homologous superfamily homologous superfamily	10 — GroEL-like equatorial domain

Domain ID domain_id	3e76F02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	260 — GROEL; domain 2
Homologous superfamily homologous superfamily	10 — TCP-1-like chaperonin intermediate domain

Domain ID domain_id	3e76F03
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	7 — GroEL
Homologous superfamily homologous superfamily	10 — GroEL

Domain ID domain_id	3e76G01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	560 — GROEL; domain 1
Homologous superfamily homologous superfamily	10 — GroEL-like equatorial domain

Domain ID domain_id	3e76G02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	260 — GROEL; domain 2
Homologous superfamily homologous superfamily	10 — TCP-1-like chaperonin intermediate domain

Domain ID domain_id	3e76G03
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	7 — GroEL
Homologous superfamily homologous superfamily	10 — GroEL

Domain ID domain_id	3e76H01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	560 — GROEL; domain 1
Homologous superfamily homologous superfamily	10 — GroEL-like equatorial domain

Domain ID domain_id	3e76H02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	260 — GROEL; domain 2
Homologous superfamily homologous superfamily	10 — TCP-1-like chaperonin intermediate domain

Domain ID domain_id	3e76H03
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	7 — GroEL
Homologous superfamily homologous superfamily	10 — GroEL

Domain ID domain_id	3e76I01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	560 — GROEL; domain 1
Homologous superfamily homologous superfamily	10 — GroEL-like equatorial domain

Domain ID domain_id	3e76I02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	260 — GROEL; domain 2
Homologous superfamily homologous superfamily	10 — TCP-1-like chaperonin intermediate domain

Domain ID domain_id	3e76I03
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	7 — GroEL
Homologous superfamily homologous superfamily	10 — GroEL

Domain ID domain_id	3e76J01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	560 — GROEL; domain 1
Homologous superfamily homologous superfamily	10 — GroEL-like equatorial domain

Domain ID domain_id	3e76J02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	260 — GROEL; domain 2
Homologous superfamily homologous superfamily	10 — TCP-1-like chaperonin intermediate domain

Domain ID domain_id	3e76J03
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	7 — GroEL
Homologous superfamily homologous superfamily	10 — GroEL

Domain ID domain_id	3e76K01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	560 — GROEL; domain 1
Homologous superfamily homologous superfamily	10 — GroEL-like equatorial domain

Domain ID domain_id	3e76K02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	260 — GROEL; domain 2
Homologous superfamily homologous superfamily	10 — TCP-1-like chaperonin intermediate domain

Domain ID domain_id	3e76K03
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	7 — GroEL
Homologous superfamily homologous superfamily	10 — GroEL

Domain ID domain_id	3e76L01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	560 — GROEL; domain 1
Homologous superfamily homologous superfamily	10 — GroEL-like equatorial domain

Domain ID domain_id	3e76L02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	260 — GROEL; domain 2
Homologous superfamily homologous superfamily	10 — TCP-1-like chaperonin intermediate domain

Domain ID domain_id	3e76L03
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	7 — GroEL
Homologous superfamily homologous superfamily	10 — GroEL

Domain ID domain_id	3e76M01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	560 — GROEL; domain 1
Homologous superfamily homologous superfamily	10 — GroEL-like equatorial domain

Domain ID domain_id	3e76M02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	260 — GROEL; domain 2
Homologous superfamily homologous superfamily	10 — TCP-1-like chaperonin intermediate domain

Domain ID domain_id	3e76M03
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	7 — GroEL
Homologous superfamily homologous superfamily	10 — GroEL

Domain ID domain_id	3e76N01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	560 — GROEL; domain 1
Homologous superfamily homologous superfamily	10 — GroEL-like equatorial domain

Domain ID domain_id	3e76N02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	260 — GROEL; domain 2
Homologous superfamily homologous superfamily	10 — TCP-1-like chaperonin intermediate domain

Domain ID domain_id	3e76N03
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	7 — GroEL
Homologous superfamily homologous superfamily	10 — GroEL

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Unit-cell length a length_a	135.676 Å
Unit-cell length b length_b	260.954 Å
Unit-cell length c length_c	287.872 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	56

Space group space_group	P 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	—

Resolution resolution	3.940 Å
Low-resolution limit resolution_low	49.390 Å
R factor r_factor	0.2620
R_work r_work	0.2610
R_free r_free	0.2930

Crystal structure of Wild-type GroEL with bound Thallium ions

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

60 kDa chaperonin

State in the Current Structure

Other States of the Same Protein in the Database

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

3e76__assembly_1__model_1

3e76__assembly_1__model_1 | I(q)

3e76__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

6. Fold Classification (SCOP + CATH) 42 domains

CATH v4.4 (42 domains)

7. Citations (1)

Crystal structure of Wild-type GroEL with bound Thallium ions

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

60 kDa chaperonin

State in the Current Structure

Other States of the Same Protein in the Database

Monomer

Homodimer

Homotetramer

Other homooligomers

Heteromeric or nucleic-acid complex

2. Structure Basics 2. Structure Basics

3. Official assembly/model SAXS Official SAXS Profiles

3e76__assembly_1__model_1

3e76__assembly_1__model_1 | I(q)

3e76__assembly_1__model_1 | P(r) · Pending

4. Crystallography and Experiment 4. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

5. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Polymer Polymer

Source Source

Entity 2 Entity 2 non-polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

6. Fold Classification (SCOP + CATH) 42 domains

CATH v4.4 (42 domains)

7. Citations (1)