SAXSdb — 4nkg

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

E3 ubiquitin-protein ligase sspH1

Salmonella enterica subsp. enterica serovar Typhimurium

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 161–405	Fragment：LRR domains, UNP residues 161-405	Serine/threonine-protein kinase N1 × 1 （Q16512） HEZ HEXANE-1,6-DIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.5；293 K；26% PEG3350, 0.18M tri-Ammonium citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.90 Å R-free 0.242
2	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain C； UniProt 161–405	Fragment：LRR domains, UNP residues 161-405	Serine/threonine-protein kinase N1 × 1 （Q16512） HEZ HEXANE-1,6-DIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.5；293 K；26% PEG3350, 0.18M tri-Ammonium citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.90 Å R-free 0.242

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 4NKG	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
4NKH Crystal structure of SspH1 LRR domain Deposited 2013-11-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 161–398（238 aa） Fragment：LRR domains, UNP residues 161-398 Chain F 161–398（238 aa） Fragment：LRR domains, UNP residues 161-398	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；0.95M Ammonium sulphate, 0.5% PEG 8000, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.75 Å R-free 0.280
4NKH Crystal structure of SspH1 LRR domain Deposited 2013-11-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 161–398（238 aa） Fragment：LRR domains, UNP residues 161-398 Chain E 161–398（238 aa） Fragment：LRR domains, UNP residues 161-398	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；0.95M Ammonium sulphate, 0.5% PEG 8000, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.75 Å R-free 0.280
4NKH Crystal structure of SspH1 LRR domain Deposited 2013-11-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain C 161–398（238 aa） Fragment：LRR domains, UNP residues 161-398 Chain D 161–398（238 aa） Fragment：LRR domains, UNP residues 161-398	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；0.95M Ammonium sulphate, 0.5% PEG 8000, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.75 Å R-free 0.280
4NKH Crystal structure of SspH1 LRR domain Deposited 2013-11-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 161–398（238 aa） Fragment：LRR domains, UNP residues 161-398	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；0.95M Ammonium sulphate, 0.5% PEG 8000, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.75 Å R-free 0.280
4NKH Crystal structure of SspH1 LRR domain Deposited 2013-11-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 161–398（238 aa） Fragment：LRR domains, UNP residues 161-398	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；0.95M Ammonium sulphate, 0.5% PEG 8000, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.75 Å R-free 0.280
4NKH Crystal structure of SspH1 LRR domain Deposited 2013-11-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 161–398（238 aa） Fragment：LRR domains, UNP residues 161-398	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；0.95M Ammonium sulphate, 0.5% PEG 8000, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.75 Å R-free 0.280
4NKH Crystal structure of SspH1 LRR domain Deposited 2013-11-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 161–398（238 aa） Fragment：LRR domains, UNP residues 161-398	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；0.95M Ammonium sulphate, 0.5% PEG 8000, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.75 Å R-free 0.280
4NKH Crystal structure of SspH1 LRR domain Deposited 2013-11-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain E 161–398（238 aa） Fragment：LRR domains, UNP residues 161-398	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；0.95M Ammonium sulphate, 0.5% PEG 8000, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.75 Å R-free 0.280
4NKH Crystal structure of SspH1 LRR domain Deposited 2013-11-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 9 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain F 161–398（238 aa） Fragment：LRR domains, UNP residues 161-398	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；293 K；0.95M Ammonium sulphate, 0.5% PEG 8000, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.75 Å R-free 0.280
9H6W Crystal structure of the Salmonella effector SspH1 Deposited 2024-10-25	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 161–700（540 aa）	Not recorded	TLA L(+)-TARTARIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；0.225 M sodium tartrate, 22% PEG 3350, 11 mM sarcosine	Resolution 2.90 Å R-free 0.316
9H6W Crystal structure of the Salmonella effector SspH1 Deposited 2024-10-25	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric	Chain A 161–700（540 aa）	Not recorded	TLA L(+)-TARTARIC ACID × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；0.225 M sodium tartrate, 22% PEG 3350, 11 mM sarcosine	Resolution 2.90 Å R-free 0.316

2 other PDB entries and 11 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	SSPH1_SALT1
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 2–246； UniProt 161–405 Author chain C； PDBConstruct 2–246； UniProt 161–405

Serine/threonine-protein kinase N1

Homo sapiens

UniProt Q16512

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain B； UniProt 122–199	Fragment：HR1b domain, REM 2 domain, UNP residues 122-199	E3 ubiquitin-protein ligase sspH1 × 1 （D0ZVG2） HEZ HEXANE-1,6-DIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.5；293 K；26% PEG3350, 0.18M tri-Ammonium citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.90 Å R-free 0.242
2	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain D； UniProt 122–199	Fragment：HR1b domain, REM 2 domain, UNP residues 122-199	E3 ubiquitin-protein ligase sspH1 × 1 （D0ZVG2） HEZ HEXANE-1,6-DIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.5；293 K；26% PEG3350, 0.18M tri-Ammonium citrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.90 Å R-free 0.242

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 4NKG	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1CXZ CRYSTAL STRUCTURE OF HUMAN RHOA COMPLEXED WITH THE EFFECTOR DOMAIN OF THE PROTEIN KINASE PKN/PRK1 Deposited 1999-08-31	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 13–98（86 aa） Fragment：RESIDUES 13 - 98	Not recorded	MG MAGNESIUM ION × 1 GSP 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 6.5；277 K；PEG 300, pH 6.5, MICROBATCH, temperature 277K	Resolution 2.20 Å R-free 0.268
1URF HR1b domain from PRK1 Deposited 2003-10-29	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 122–199（78 aa） Fragment：HR1B, RESIDUES 122-199	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 60；Pressure 1	Resolution not provided
2RMK Rac1/PRK1 Complex Deposited 2007-10-25	Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 122–199（78 aa） Fragment：HR1b domain, REM 2, UNP residues 122-199	Not recorded	MG MAGNESIUM ION × 1 GCP PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1	SOLUTION NMR NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 0.225；Pressure ambient NMR sample composition 0.6mM [U-13C; U-15N; U-2H] Rac1; 0.6mM PRK1 HR1b; 0.7mM PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER; 90% H2O, 10% D2O \| 90% H2O/10% D2O NMR sample composition 0.6mM [U-100% 13C; U-100% 15N] Rac1; 0.6mM PRK1 HR1b; 0.7mM PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER; 90% H2O, 10% D2O \| 90% H2O/10% D2O NMR sample composition 0.6mM [U-100% 15N] Rac1; 0.6mM PRK1 HR1b; 0.7mM PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER; 90% H2O, 10% D2O \| 90% H2O/10% D2O NMR sample composition 0.6mM [U-100% 13C; U-100% 15N] Rac1; 0.6mM PRK1 Rac1; 0.7mM PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER; 90% H2O, 10% D2O \| 90% H2O/10% D2O NMR sample composition 0.6mM [U-100% 15N] HR1b; 0.6mM PRK1 Rac1; 0.7mM PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER; 90% H2O, 10% D2O \| 90% H2O/10% D2O	Resolution not provided
4OTD Crystal Structure of PRK1 Catalytic Domain Deposited 2014-02-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 605–942（338 aa） Fragment：UNP residues 605-942	Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；100mM Tris pH 8.5, 150-225mM Ammonium acetate, 23-28% PEG 3350, Vapor diffusion	Resolution 2.00 Å R-free 0.221
4OTG Crystal Structure of PRK1 Catalytic Domain in Complex with Lestaurtinib Deposited 2014-02-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 605–942（338 aa） Fragment：UNP residues 605-942	Non-standard monomer：Yes (specific site not provided by mmCIF)	2V9 Lestaurtinib × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；100mM Tris pH 8.5, 150-225mM Ammonium acetate, 23-28% PEG 3350, Vapor diffusion	Resolution 2.60 Å R-free 0.268
4OTH Crystal Structure of PRK1 Catalytic Domain in Complex with Ro-31-8220 Deposited 2014-02-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 605–942（338 aa） Fragment：UNP residues 605-942	Non-standard monomer：Yes (specific site not provided by mmCIF)	DRN BISINDOLYLMALEIMIDE IX × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；100mM Tris pH 8.5, 150-225mM Ammonium acetate, 23-28% PEG 3350, Vapor diffusion	Resolution 1.80 Å R-free 0.266
4OTI Crystal Structure of PRK1 Catalytic Domain in Complex with Tofacitinib Deposited 2014-02-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 605–942（338 aa） Fragment：UNP residues 605-942	Non-standard monomer：Yes (specific site not provided by mmCIF)	MI1 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；100mM Tris pH 8.5, 150-225mM Ammonium acetate, 23-28% PEG 3350, Vapor diffusion	Resolution 1.93 Å R-free 0.226
9RXE Solution structure of the HR1c domain of human PKN1 Deposited 2025-07-11	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 201–297（97 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 7.3；298 K；Ionic strength (raw mmCIF value) 0.17；Pressure 1 NMR measurement conditions pH 7.3；298 K；Ionic strength (raw mmCIF value) 0.17；Pressure 1 NMR sample composition 1.6 mM [U-100% 15N] PRK1 HR1c domain, 150 mM sodium chloride, 20 mM sodium phosphate, 90 % H2O, 10 % [U-2H] D2O, 0.05 % w/v sodium azide, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 1.2 mM [U-100% 13C; U-100% 15N] PRK1 HR1c domain, 150 mM sodium chloride, 20 mM sodium phosphate, 90 % H2O, 10 % [U-2H] D2O, 0.05 % w/v sodium azide, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided

8 other PDB entries and 8 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	PKN1_HUMAN
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 5–82； UniProt 122–199 Author chain D； PDBConstruct 5–82； UniProt 122–199

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	4nkg
Deposition date deposition_date	2013-11-12
Structure title title	Crystal structure of SspH1 LRR domain in complex PKN1 HR1b domain
Keywords keywords	LEUCINE-RICH REPEAT, COILED-COIL, E3 ligase substrate interaction, Ligase-Transferase complex; Ligase/Transferase
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	30.12 Å
Radius of gyration Rg (electron density) rg_electron	29.25 Å
Forward intensity I(0) i0	66644100.00
Molecular weight molecular_weight	64048.0 kDa
Excluded volume excluded_volume	80297 Å³
Envelope volume envelope_volume	102180 Å³
Hydration-shell volume shell_volume	29519 Å³
Envelope diameter envelope_diameter	105.6 Å
Shell Rg shell_rg	35.89 Å
Envelope Rg envelope_rg	29.46 Å
Shape Rg shape_rg	29.23 Å
Total Rg total_rg	29.95 Å
Total atoms total_atoms	4504
Residues n_residues	594
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	97.6 Å
Rg (real space) rg_real	30.14 Å
Rg uncertainty (real space) rg_real_error	0.63 Å
I(0) (real space) i0_real	6.6640e+07
I(0) uncertainty (real space) i0_real_error	9.1370e+05
Rg (reciprocal space) rg_reciprocal	30.13 Å
I(0) (reciprocal space) i0_reciprocal	66640000.0000
Solution quality estimate total_estimate	0.9022
Solution quality rating solution_quality	EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	33.2 Å
Skewness Skewness skewness	0.288
Kurtosis Kurtosis kurtosis	-0.568
Angular range angular_range	— – 0.2650 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	12010000.0000
Real-space data points n_real_points	54
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.937; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.958; Smooth: 0.955

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Description description	E3 ubiquitin-protein ligase sspH1
Molecular weight formula_weight	26580.1 kDa
EC 编号 ec_number	6.3.2.-
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,C
Atom count atom_count	4507

GAEYDAVWSKWERDAPAGESPGRAAVVQEMRDCLNNGNPVLNVGASGLTTLPDRLPPHITTLVIPDNNLTSLPELPEGLRELEVSGNLQLTSLPSLPQGLQKLWAYNNWLASLPTLPPGLGDLAVSNNQLTSLPEMPPALRELRVSGNNLTSLPALPSGLQKLWAYNNRLTSLPEMSPGLQELDVSHNQLTRLPQSLTGLSSAARVYLDGNPLSVRTLQALRDIIGHSGIRIHFDMAGPSVPREAR

来源 Source

来源生物 organism	Salmonella enterica subsp. enterica serovar Typhimurium
NCBI Class编号 ncbi_taxonomy_id	588858
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	Serine/threonine-protein kinase N1
Molecular weight formula_weight	9066.5 kDa
EC 编号 ec_number	2.7.11.13
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B,D

GAMDATNLSRVAGLEKQLAIELKVKQGAENMIQTYSNGSTKDRKLLLTAQQMLQDSKTKIDIIRMQLRRALQAGQLENQAAP

来源 Source

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

Entity 3 Entity 3 non-polymer

Description description	HEXANE-1,6-DIOL
Molecular weight formula_weight	118.2 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	3

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7. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d4nkgb_
Class class	a — All alpha proteins
Fold Fold fold	a.2 — Long alpha-hairpin
Superfamily Superfamily superfamily	a.2.6 — HR1 repeat
Family Family family	a.2.6.1 — HR1 repeat

Domain ID domain_id	d4nkgd_
Class class	a — All alpha proteins
Fold Fold fold	a.2 — Long alpha-hairpin
Superfamily Superfamily superfamily	a.2.6 — HR1 repeat
Family Family family	a.2.6.1 — HR1 repeat

CATH v4.4 (4 domains)

Domain ID domain_id	4nkgA00
Class class	3 — Alpha Beta
Architecture architecture	80 — Alpha-Beta Horseshoe
Topology topology	10 — Leucine-rich repeat, LRR (right-handed beta-alpha superhelix)
Homologous superfamily homologous superfamily	10 — Ribonuclease Inhibitor

Domain ID domain_id	4nkgB00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	287 — Helix Hairpins
Homologous superfamily homologous superfamily	160 — HR1 repeat

Domain ID domain_id	4nkgC00
Class class	3 — Alpha Beta
Architecture architecture	80 — Alpha-Beta Horseshoe
Topology topology	10 — Leucine-rich repeat, LRR (right-handed beta-alpha superhelix)
Homologous superfamily homologous superfamily	10 — Ribonuclease Inhibitor

Domain ID domain_id	4nkgD00
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	287 — Helix Hairpins
Homologous superfamily homologous superfamily	160 — HR1 repeat

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8. Citations (1)

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Unit-cell length a length_a	167.623 Å
Unit-cell length b length_b	167.623 Å
Unit-cell length c length_c	89.143 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	12

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

Resolution resolution	2.900 Å
Low-resolution limit resolution_low	39.350 Å
R factor r_factor	0.2100
R_work r_work	0.2090
R_free r_free	0.2420

fit	/app/data/saxs_computation/nk/4nkg/4nkg.fit
pddf	/app/data/pr_computation/nk/4nkg/4nkg.pr.out
profile	/app/data/saxs_computation/nk/4nkg/4nkg.dat

Crystal structure of SspH1 LRR domain in complex PKN1 HR1b domain

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

E3 ubiquitin-protein ligase sspH1

State in the Current Structure

Other States of the Same Protein in the Database

Serine/threonine-protein kinase N1

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 (4)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 water

7. Fold Classification (SCOP + CATH) 6 domains

SCOP 2.08 (2 domains)

CATH v4.4 (4 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)