SAXSdb — 1mx4

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

Cyclin-dependent kinase 6 inhibitor

Homo sapiens

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 1–168	Mutation：F82Q	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8.5；273 K；5 mg/ml protein, 20 mM Tris (pH 8.5), 0.5 mM DTT, 14 % PEG 6000, 2 M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 273K	Resolution 2.00 Å R-free 0.260
2	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain B； UniProt 1–168	Mutation：F82Q	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 8.5；273 K；5 mg/ml protein, 20 mM Tris (pH 8.5), 0.5 mM DTT, 14 % PEG 6000, 2 M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 273K	Resolution 2.00 Å R-free 0.260

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.

Other PDB	Difference from Current Entry 1MX4	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1BU9 SOLUTION STRUCTURE OF P18-INK4C, 21 STRUCTURES Deposited 1998-09-15	Different mutation/modification Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–168（168 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 7.5；293 K	Resolution not provided
1G3N STRUCTURE OF A P18(INK4C)-CDK6-K-CYCLIN TERNARY COMPLEX Deposited 2000-10-24	Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain B 1–168（168 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；(NH4)2SO4, Dioxane, Tris-HCl, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 2.90 Å R-free 0.262
1G3N STRUCTURE OF A P18(INK4C)-CDK6-K-CYCLIN TERNARY COMPLEX Deposited 2000-10-24	Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain F 1–168（168 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；(NH4)2SO4, Dioxane, Tris-HCl, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 2.90 Å R-free 0.262
1G3N STRUCTURE OF A P18(INK4C)-CDK6-K-CYCLIN TERNARY COMPLEX Deposited 2000-10-24	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain B 1–168（168 aa） Chain F 1–168（168 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.6；277 K；(NH4)2SO4, Dioxane, Tris-HCl, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 2.90 Å R-free 0.262
1IHB CRYSTAL STRUCTURE OF P18-INK4C(INK6) Deposited 1997-10-25	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–162（162 aa） Chain B 1–162（162 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；VAPOR DIFFUSION, 4 DEG. C, 2 MICROLITER HANGING DROP CONTAINING 5 MG/ML PROTEIN, 20 MM TRIS (PH 8.5), 25 MM (NH4)2 HPO4, 0.5 MM DDT, 7% PEG 6K, 1 MM NACL EQUILIBRATED OVER A RESERVOIR CONTAINING 14% PEG 6K AND 2 M NACL. WITHIN 8 DAYS, 0.2 X 0.2 X 0.4 MM CRYSTALS., vapor diffusion - hanging drop	Resolution 1.95 Å R-free 0.289
1MX2 Structure of F71N mutant of p18INK4c Deposited 2002-10-01	Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–168（168 aa）	Mutation：F71N	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；273 K；20 mM Tris, 25mM (NH4)2HPO4, 0.5 mM DTT, 7% PEG 6000, 2 M NaCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 273K	Resolution 2.25 Å R-free 0.254
1MX2 Structure of F71N mutant of p18INK4c Deposited 2002-10-01	Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–168（168 aa）	Mutation：F71N	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；273 K；20 mM Tris, 25mM (NH4)2HPO4, 0.5 mM DTT, 7% PEG 6000, 2 M NaCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 273K	Resolution 2.25 Å R-free 0.254
1MX6 Structure of p18INK4c (F92N) Deposited 2002-10-01	Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–168（168 aa）	Mutation：F92N	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；273 K；5 mg/ml protein, 20 mM Tris (pH 8.5), 0.5 mM DTT, 14 % PEG 6000 and 2M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 273K	Resolution 2.00 Å R-free 0.263
1MX6 Structure of p18INK4c (F92N) Deposited 2002-10-01	Different mutation/modification Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–168（168 aa）	Mutation：F92N	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；273 K；5 mg/ml protein, 20 mM Tris (pH 8.5), 0.5 mM DTT, 14 % PEG 6000 and 2M NaCl, VAPOR DIFFUSION, HANGING DROP, temperature 273K	Resolution 2.00 Å R-free 0.263

5 other PDB entries and 9 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	CDN2C_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–168； UniProt 1–168 Author chain B； PDBConstruct 1–168； UniProt 1–168

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	1mx4
Deposition date deposition_date	2002-10-01
Structure title title	Structure of p18INK4c (F82Q)
Keywords keywords	Ankyrin repeats, cell cycle inhibitor; cell cycle inhibitor
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	26.37 Å
Radius of gyration Rg (electron density) rg_electron	25.75 Å
Forward intensity I(0) i0	21862200.00
Molecular weight molecular_weight	34121.0 kDa
Excluded volume excluded_volume	42035 Å³
Envelope volume envelope_volume	53054 Å³
Hydration-shell volume shell_volume	18168 Å³
Envelope diameter envelope_diameter	88.2 Å
Shell Rg shell_rg	31.16 Å
Envelope Rg envelope_rg	25.61 Å
Shape Rg shape_rg	25.74 Å
Total Rg total_rg	26.39 Å
Total atoms total_atoms	2402
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	84.3 Å
Rg (real space) rg_real	26.53 Å
Rg uncertainty (real space) rg_real_error	0.60 Å
I(0) (real space) i0_real	2.1860e+07
I(0) uncertainty (real space) i0_real_error	3.1020e+05
Rg (reciprocal space) rg_reciprocal	26.48 Å
I(0) (reciprocal space) i0_reciprocal	21860000.0000
Solution quality estimate total_estimate	0.8616
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	19.7 Å
Skewness Skewness skewness	0.349
Kurtosis Kurtosis kurtosis	-0.705
Angular range angular_range	— – 0.3000 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	7695000.0000
Real-space data points n_real_points	61
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.852; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.674; Smooth: 0.964

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (2)

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d1mx4a_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.211 — beta-hairpin-alpha-hairpin repeat
Superfamily Superfamily superfamily	d.211.1 — Ankyrin repeat
Family Family family	d.211.1.1 — Ankyrin repeat

Domain ID domain_id	d1mx4b_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.211 — beta-hairpin-alpha-hairpin repeat
Superfamily Superfamily superfamily	d.211.1 — Ankyrin repeat
Family Family family	d.211.1.1 — Ankyrin repeat

CATH v4.4 (2 domains)

Domain ID domain_id	1mx4A00
Class class	1 — Mainly Alpha
Architecture architecture	25 — Alpha Horseshoe
Topology topology	40 — Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat
Homologous superfamily homologous superfamily	20 — Ankyrin repeat-containing domain

Domain ID domain_id	1mx4B00
Class class	1 — Mainly Alpha
Architecture architecture	25 — Alpha Horseshoe
Topology topology	40 — Serine Threonine Protein Phosphatase 5, Tetratricopeptide repeat
Homologous superfamily homologous superfamily	20 — Ankyrin repeat-containing domain

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8. Citations (1)

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Unit-cell length a length_a	55.070 Å
Unit-cell length b length_b	151.174 Å
Unit-cell length c length_c	40.149 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	8

Space group space_group	P 21 21 2
Space-group number int_tables_number	18
Crystal system crystal_system	—

Resolution resolution	2.000 Å
Low-resolution limit resolution_low	50.000 Å
R factor r_factor	0.2370
R_work r_work	0.2310
R_free r_free	0.2600

Description description	Cyclin-dependent kinase 6 inhibitor
Molecular weight formula_weight	18130.3 kDa
Mutation mutation	F82Q
Source method src_method	man
Copy count entity_count	2

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	2581

Structure of p18INK4c (F82Q)

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

Cyclin-dependent kinase 6 inhibitor

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

6. Entities and Polymers Entities & Polymers (2)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 water

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

CATH v4.4 (2 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli BL21(DE3)

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	179

fit	/app/data/saxs_computation/mx/1mx4/1mx4.fit
pddf	/app/data/pr_computation/mx/1mx4/1mx4.pr.out
profile	/app/data/saxs_computation/mx/1mx4/1mx4.dat