1jx1

Chalcone Isomerase--T48A mutant

Method: X-RAY DIFFRACTION

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

CHALCONE--FLAVONONE ISOMERASE 1

Medicago sativa

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein monomer	Monomer	Protein 1	water × 1	Consistent with protein count
2	Protein monomer	Monomer	Protein 1	SULFATE ION × 1 water × 1	Consistent with protein count
3	Protein monomer	Monomer	Protein 1	SULFATE ION × 2 7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE × 1 water × 1	Consistent with protein count
4	Protein monomer	Monomer	Protein 1	water × 1	Consistent with protein count
5	Protein monomer	Monomer	Protein 1	water × 1	Consistent with protein count
6	Protein monomer	Monomer	Protein 1	water × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	CFI1_MEDSA
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–222； UniProt 1–222 Author chain B； PDBConstruct 1–222； UniProt 1–222 Author chain C； PDBConstruct 1–222； UniProt 1–222 Author chain D； PDBConstruct 1–222； UniProt 1–222 Author chain E； PDBConstruct 1–222； UniProt 1–222 Author chain F； PDBConstruct 1–222； UniProt 1–222

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	1jx1
Deposition date deposition_date	2001-09-05
Structure title title	Chalcone Isomerase--T48A mutant
Keywords keywords	open-faced beta sandwich, unique fold, ISOMERASE; ISOMERASE
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.

1jx1__assembly_1__model_1

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

Download this curve (.dat)

1jx1__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

1jx1__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	17.76 Å
Rg (electron density)	16.41 Å
Total Rg	17.48 Å
Atom count	1650
Residues	218
Excluded volume	29651 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`1jx1__assembly_1__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`1jx1__assembly_2__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
3	1	`1jx1__assembly_3__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
4	1	`1jx1__assembly_4__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
5	1	`1jx1__assembly_5__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
6	1	`1jx1__assembly_6__model_1`	monomeric （1）	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	CHALCONE--FLAVONONE ISOMERASE 1
Molecular weight formula_weight	23821.2 kDa
EC 编号 ec_number	5.5.1.6
Mutation mutation	T48A
Source method src_method	man
Copy count entity_count	6

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D,E,F
Atom count atom_count	10255

MAASITAITVENLEYPAVVTSPVTGKSYFLGGAGERGLTIEGNFIKFAAIGVYLEDIAVASLAAKWKGKSSEELLETLDFYRDIISGPFEKLIRGSKIRELSGPEYSRKVMENCVAHLKSVGTYGDAEAEAMQKFAEAFKPVNFPPGASVFYRQSPDGILGLSFSPDTSIPEKEAALIENKAVSSAVLETMIGEHAVSPDLKRCLAARLPALLNEGAFKIGN

Source Source

Source organism organism	Medicago sativa
NCBI taxonomy ID ncbi_taxonomy_id	3879
Host organism host_organism	Escherichia coli BL21(DE3)

Entity 2 Entity 2 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 3 Entity 3 non-polymer

Description description	7-HYDROXY-2-(4-HYDROXY-PHENYL)-CHROMAN-4-ONE
Molecular weight formula_weight	256.3 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	518

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6. Fold Classification (SCOP + CATH) 18 domains

SCOP 2.08 (6 domains)

Domain ID domain_id	d1jx1a_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.36 — Chalcone isomerase
Superfamily Superfamily superfamily	d.36.1 — Chalcone isomerase
Family Family family	d.36.1.1 — Chalcone isomerase

Domain ID domain_id	d1jx1b_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.36 — Chalcone isomerase
Superfamily Superfamily superfamily	d.36.1 — Chalcone isomerase
Family Family family	d.36.1.1 — Chalcone isomerase

Domain ID domain_id	d1jx1c_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.36 — Chalcone isomerase
Superfamily Superfamily superfamily	d.36.1 — Chalcone isomerase
Family Family family	d.36.1.1 — Chalcone isomerase

Domain ID domain_id	d1jx1d_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.36 — Chalcone isomerase
Superfamily Superfamily superfamily	d.36.1 — Chalcone isomerase
Family Family family	d.36.1.1 — Chalcone isomerase

Domain ID domain_id	d1jx1e_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.36 — Chalcone isomerase
Superfamily Superfamily superfamily	d.36.1 — Chalcone isomerase
Family Family family	d.36.1.1 — Chalcone isomerase

Domain ID domain_id	d1jx1f_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.36 — Chalcone isomerase
Superfamily Superfamily superfamily	d.36.1 — Chalcone isomerase
Family Family family	d.36.1.1 — Chalcone isomerase

CATH v4.4 (12 domains)

Domain ID domain_id	1jx1A01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	890 — 10k-s Protein, Hypothetical Protein A; Chain A
Homologous superfamily homologous superfamily	20 —

Domain ID domain_id	1jx1A02
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	70 — Chalcone isomerase
Homologous superfamily homologous superfamily	10 —

Domain ID domain_id	1jx1B01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	890 — 10k-s Protein, Hypothetical Protein A; Chain A
Homologous superfamily homologous superfamily	20 —

Domain ID domain_id	1jx1B02
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	70 — Chalcone isomerase
Homologous superfamily homologous superfamily	10 —

Domain ID domain_id	1jx1C01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	890 — 10k-s Protein, Hypothetical Protein A; Chain A
Homologous superfamily homologous superfamily	20 —

Domain ID domain_id	1jx1C02
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	70 — Chalcone isomerase
Homologous superfamily homologous superfamily	10 —

Domain ID domain_id	1jx1D01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	890 — 10k-s Protein, Hypothetical Protein A; Chain A
Homologous superfamily homologous superfamily	20 —

Domain ID domain_id	1jx1D02
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	70 — Chalcone isomerase
Homologous superfamily homologous superfamily	10 —

Domain ID domain_id	1jx1E01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	890 — 10k-s Protein, Hypothetical Protein A; Chain A
Homologous superfamily homologous superfamily	20 —

Domain ID domain_id	1jx1E02
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	70 — Chalcone isomerase
Homologous superfamily homologous superfamily	10 —

Domain ID domain_id	1jx1F01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	890 — 10k-s Protein, Hypothetical Protein A; Chain A
Homologous superfamily homologous superfamily	20 —

Domain ID domain_id	1jx1F02
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	70 — Chalcone isomerase
Homologous superfamily homologous superfamily	10 —

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Unit-cell length a length_a	90.940 Å
Unit-cell length b length_b	90.940 Å
Unit-cell length c length_c	349.990 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	120.00 °
Molecules per unit cell Z z_pdb	36

Space group space_group	P 65
Space-group number int_tables_number	170
Crystal system crystal_system	—

Resolution resolution	2.300 Å
Low-resolution limit resolution_low	78.760 Å
R factor r_factor	—
R_work r_work	0.2300
R_free r_free	0.2870

Chalcone Isomerase--T48A mutant

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

CHALCONE--FLAVONONE ISOMERASE 1

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

1jx1__assembly_1__model_1

1jx1__assembly_1__model_1 | I(q)

1jx1__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 water

6. Fold Classification (SCOP + CATH) 18 domains

SCOP 2.08 (6 domains)

CATH v4.4 (12 domains)

7. Citations (2)

Chalcone Isomerase--T48A mutant

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

CHALCONE--FLAVONONE ISOMERASE 1

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

1jx1__assembly_1__model_1

1jx1__assembly_1__model_1 | I(q)

1jx1__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 water

6. Fold Classification (SCOP + CATH) 18 domains

SCOP 2.08 (6 domains)

CATH v4.4 (12 domains)

7. Citations (2)