SAXSdb — 9jt5

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

Aldo-keto reductase family 1 member C3

Homo sapiens

State in the Current Structure

Assembly	Physical composition	Protein state	Molecular copy count	Associated components	Data consistency
1	Protein monomer	Monomer	Protein 1	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ;5-[[(4-carboxy-5-methyl-furan-2-yl)methyl-[[(3~{R})-6-ethoxy-3,4-dihydro-2~{H}-chromen-3-yl]carbonyl]amino]methyl]-2-methyl-furan-3-carboxylic acid ; × 1 water × 1	Consistent with protein count
2	Protein monomer	Monomer	Protein 1	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1 ;5-[[(4-carboxy-5-methyl-furan-2-yl)methyl-[[(3~{R})-6-ethoxy-3,4-dihydro-2~{H}-chromen-3-yl]carbonyl]amino]methyl]-2-methyl-furan-3-carboxylic acid ; × 1 SULFATE ION × 2 water × 1	Consistent with protein count

Other States of the Same Protein in the Database

View Construct and Data Evidence

UniProt name	AK1C3_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–315； UniProt 6–320 Author chain B； PDBConstruct 1–315； UniProt 6–320

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	9jt5
Deposition date deposition_date	2024-10-02
Last revision last_revision	2025-10-08
Structure title title	Crystal structure of Aldo-keto reductase 1C3 complexed with compound S30-1023x
Keywords keywords	Oxidoreductase, Lipid metabolism, NAD, NADP; OXIDOREDUCTASE
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.

9jt5__assembly_1__model_1

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

Download this curve (.dat)

9jt5__assembly_1__model_1 | I(q)

100 plotted points; both axes use logarithmic scales.

9jt5__assembly_1__model_1 | P(r) · Pending

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

Rg（Guinier）	19.69 Å
Rg (electron density)	18.60 Å
Total Rg	19.61 Å
Atom count	2576
Residues	315
Excluded volume	45693 Å³
Maximum q	0.500 Å⁻¹

Assembly	Model	Structure unit	Oligomeric description	Status	CRYSOL	Actions
1	1	`9jt5__assembly_1__model_1`	monomeric （1）	Success	4.1.3-1-20251215 (887e7ef)	View Download
2	1	`9jt5__assembly_2__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 (5)

Entity 1 Entity 1 polymer

Description description	Aldo-keto reductase family 1 member C3
Molecular weight formula_weight	35898.2 kDa
EC 编号 ec_number	1.1.1.-,1.1.1.210,1.1.1.53,1.1.1.62,1.1.1.357,1.1.1.188,1.1.1.239,1.1.1.64
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	5821

QCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPMSLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNRSKLLDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTAEDMKAIDGLDRNLHYFNSDSFASHPNYPYS

Source Source

Source organism organism	Homo sapiens
Common name common_name	human
NCBI taxonomy ID ncbi_taxonomy_id	9606
Host organism host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Molecular weight formula_weight	743.4 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 3 Entity 3 non-polymer

Description description	;5-[[(4-carboxy-5-methyl-furan-2-yl)methyl-[[(3~{R})-6-ethoxy-3,4-dihydro-2~{H}-chromen-3-yl]carbonyl]amino]methyl]-2-methyl-furan-3-carboxylic acid ;
Molecular weight formula_weight	497.5 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 4 Entity 4 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	665

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Unit-cell length a length_a	48.685 Å
Unit-cell length b length_b	49.585 Å
Unit-cell length c length_c	83.542 Å
Unit-cell angle α angle_alpha	74.86 °
Unit-cell angle β angle_beta	74.42 °
Unit-cell angle γ angle_gamma	61.68 °
Molecules per unit cell Z z_pdb	2

Space group space_group	P 1
Space-group number int_tables_number	1
Crystal system crystal_system	—

Resolution resolution	1.620 Å
Low-resolution limit resolution_low	27.160 Å
R factor r_factor	0.1577
R_work r_work	0.1563
R_free r_free	0.1862

Crystal structure of Aldo-keto reductase 1C3 complexed with compound S30-1023x

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

Aldo-keto reductase family 1 member C3

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

9jt5__assembly_1__model_1

9jt5__assembly_1__model_1 | I(q)

9jt5__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 (5)

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

Entity 5 Entity 5 water

7. Citations (1)

Crystal structure of Aldo-keto reductase 1C3 complexed with compound S30-1023x

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

Aldo-keto reductase family 1 member C3

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

9jt5__assembly_1__model_1

9jt5__assembly_1__model_1 | I(q)

9jt5__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 (5)

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

Entity 5 Entity 5 water

7. Citations (1)