SAXSdb — 1c9w

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

CHO REDUCTASE

Cricetulus griseus

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 1–315	Not recorded	NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions：EVAPORATION；pH 6.5；298 K；PEG 4000, AMMONIUM SULPHATE, 2,5-HEXANEDIOL, pH 6.5, EVAPORATION, temperature 298.0K	Resolution 2.40 Å R-free 0.244

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

No other PDB entry for the same UniProt protein was found.

View Construct and Data Evidence

UniProt name	ALD2_CRIGR
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–315； UniProt 1–315

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	1c9w
Deposition date deposition_date	1999-08-03
Structure title title	CHO REDUCTASE WITH NADP+
Keywords keywords	ALPHA/BETA TIM BARREL, PROTEIN-NADP+ COMPLEX, OXIDOREDUCTASE; OXIDOREDUCTASE
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	20.05 Å
Radius of gyration Rg (electron density) rg_electron	18.93 Å
Forward intensity I(0) i0	22377900.00
Molecular weight molecular_weight	36915.0 kDa
Excluded volume excluded_volume	46522 Å³
Envelope volume envelope_volume	51940 Å³
Hydration-shell volume shell_volume	22213 Å³
Envelope diameter envelope_diameter	63.8 Å
Shell Rg shell_rg	26.01 Å
Envelope Rg envelope_rg	19.29 Å
Shape Rg shape_rg	18.92 Å
Total Rg total_rg	19.91 Å
Total atoms total_atoms	2603
Residues n_residues	315
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	62.7 Å
Rg (real space) rg_real	19.93 Å
Rg uncertainty (real space) rg_real_error	0.25 Å
I(0) (real space) i0_real	2.2380e+07
I(0) uncertainty (real space) i0_real_error	2.4010e+05
Rg (reciprocal space) rg_reciprocal	19.95 Å
I(0) (reciprocal space) i0_reciprocal	22380000.0000
Solution quality estimate total_estimate	0.8974
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	61.8 Å
Skewness Skewness skewness	0.143
Kurtosis Kurtosis kurtosis	-0.445
Angular range angular_range	— – 0.3950 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	6773000.0000
Real-space data points n_real_points	71
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.895; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.983; Smooth: 0.995

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	CHO REDUCTASE
Molecular weight formula_weight	36257.6 kDa
EC 编号 ec_number	1.1.1.2
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	2903

STFVELSTKAKMPIVGLGTWQSPPGQVKEAVKVAIDAGYRHIDCAYAYYNEHEVGEAIQEKIKEKAVRREDLFIVSKLWPTCFERKLLKEAFQKTLTDLKLDYLDLYLIHWPQGLQPGKELFPKDDQGNVLTSKITFLDAWEVMEELVDEGLVKALGVSNFNHFQIERILNKPGLKHKPVTNQVECHPYLTQEKLIEYCHSKGITVTAYSPLGSPNRPWAKPEDPSLLEDPKIKEIAAKHKKTSAQVLIRFHIQRNVVVIPKSVTPARIHENFQVFDFQLSDQEMATILGFNRNWRACLLPETVNMEEYPYDAEY

来源 Source

来源生物 organism	Cricetulus griseus
通用名 common_name	Chinese hamster
NCBI Class编号 ncbi_taxonomy_id	10029
宿主生物 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	1

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	300

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d1c9wa_
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.1 — TIM beta/alpha-barrel
Superfamily Superfamily superfamily	c.1.7 — NAD(P)-linked oxidoreductase
Family Family family	c.1.7.1 — Aldo-keto reductases (NADP)

CATH v4.4 (1 domains)

Domain ID domain_id	1c9wA00
Class class	3 — Alpha Beta
Architecture architecture	20 — Alpha-Beta Barrel
Topology topology	20 — TIM Barrel
Homologous superfamily homologous superfamily	100 — NADP-dependent oxidoreductase domain

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8. Citations (1)

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Unit-cell length a length_a	84.282 Å
Unit-cell length b length_b	84.282 Å
Unit-cell length c length_c	120.539 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	6

Space group space_group	P 32 2 1
Space-group number int_tables_number	154
Crystal system crystal_system	—

Resolution resolution	2.400 Å
Low-resolution limit resolution_low	25.000 Å
R factor r_factor	0.2010
R_work r_work	0.2010
R_free r_free	0.2440

fit	/app/data/saxs_computation/c9/1c9w/1c9w.fit
pddf	/app/data/pr_computation/c9/1c9w/1c9w.pr.out
profile	/app/data/saxs_computation/c9/1c9w/1c9w.dat

CHO REDUCTASE WITH NADP+

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

CHO REDUCTASE

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction