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1vd2

Solution Structure of the PB1 domain of PKCiota

Method: SOLUTION NMR Dmax: 41.0 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Protein kinase C, iota type

Homo sapiens

UniProt P41743

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 16–99 Fragment：PB1 domain No other associated polymer SOLUTION NMR NMR measurement conditions：pH 7；298 K；Ionic strength (raw mmCIF value) 50mM phosphate buffer; 150mM sodium chloride；Pressure ambient NMR sample composition：1mM PKCiota PB1 U-15N, U-13C; 50mM phosphate buffer; 150mM sodium chloride; 5mM ditiothreitol; 0.05%(w/v) sodium azide; 90% H2O, 10% D2O | 90% H2O/10% D2O NMR sample composition：1mM PKCiota PB1 U-15N, U-13C; 50mM phosphate buffer; 150mM sodium chloride; 5mM ditiothreitol; 0.05%(w/v) sodium azide; 100% D2O | 100% D2O Resolution not provided

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 1VD2 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1WMH Crystal structure of a PB1 domain complex of Protein kinase c iota and Par6 alpha Deposited 2004-07-09 Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 16–99（84 aa） Fragment：PB1 domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；sodium formate, Tris, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 1.50 Å R-free 0.224
1ZRZ Crystal Structure of the Catalytic Domain of Atypical Protein Kinase C-iota Deposited 2005-05-23 Different construct Different mutation/modification 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 224–587（364 aa） Fragment：catalytic domain, residues 224-587
Non-standard monomer：Yes (specific site not provided by mmCIF) BI1 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；PEG 400, sodium acetate, MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 3.00 Å R-free 0.333
3A8W Crystal Structure of PKCiota kinase domain Deposited 2009-10-11 Different construct Different mutation/modification 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 249–588（340 aa） Fragment：UNP residues 249-588
Non-standard monomer：Yes (specific site not provided by mmCIF) ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；293 K；PEG3350, ammonium sulfate, pH 5.5, VAPOR DIFFUSION, temperature 293K
Resolution 2.10 Å R-free 0.301
3A8W Crystal Structure of PKCiota kinase domain Deposited 2009-10-11 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 249–588（340 aa） Fragment：UNP residues 249-588
Non-standard monomer：Yes (specific site not provided by mmCIF) ATP ADENOSINE-5'-TRIPHOSPHATE × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；293 K；PEG3350, ammonium sulfate, pH 5.5, VAPOR DIFFUSION, temperature 293K
Resolution 2.10 Å R-free 0.301
3A8W Crystal Structure of PKCiota kinase domain Deposited 2009-10-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 249–588（340 aa） Fragment：UNP residues 249-588
Chain B 249–588（340 aa） Fragment：UNP residues 249-588
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) ATP ADENOSINE-5'-TRIPHOSPHATE × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；293 K；PEG3350, ammonium sulfate, pH 5.5, VAPOR DIFFUSION, temperature 293K
Resolution 2.10 Å R-free 0.301
3A8X Crystal Structure of PKCiota kinase domain Deposited 2009-10-11 Different construct Different mutation/modification 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 249–588（340 aa） Fragment：UNP residues 249-588
Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；HEPES, ammonium sulfate, PEG400, pH 7.5, VAPOR DIFFUSION, temperature 293K
Resolution 2.00 Å R-free 0.271
3A8X Crystal Structure of PKCiota kinase domain Deposited 2009-10-11 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 249–588（340 aa） Fragment：UNP residues 249-588
Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；HEPES, ammonium sulfate, PEG400, pH 7.5, VAPOR DIFFUSION, temperature 293K
Resolution 2.00 Å R-free 0.271
3A8X Crystal Structure of PKCiota kinase domain Deposited 2009-10-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 249–588（340 aa） Fragment：UNP residues 249-588
Chain B 249–588（340 aa） Fragment：UNP residues 249-588
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；HEPES, ammonium sulfate, PEG400, pH 7.5, VAPOR DIFFUSION, temperature 293K
Resolution 2.00 Å R-free 0.271
3ZH8 A novel small molecule aPKC inhibitor Deposited 2012-12-20 Different construct Different mutation/modification 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 248–596（349 aa） Fragment：KINASE DOMAIN, RESIDUES 248-596
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) IOD IODIDE ION × 4 CL CHLORIDE ION × 1 C58 (2S)-3-phenyl-N~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine × 1 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions 0.2M AMMONIUM IODIDE AND 20%(W/V) PEG3350.
Resolution 2.74 Å R-free 0.257
3ZH8 A novel small molecule aPKC inhibitor Deposited 2012-12-20 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 248–596（349 aa） Fragment：KINASE DOMAIN, RESIDUES 248-596
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) IOD IODIDE ION × 4 CL CHLORIDE ION × 1 C58 (2S)-3-phenyl-N~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine × 1 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions 0.2M AMMONIUM IODIDE AND 20%(W/V) PEG3350.
Resolution 2.74 Å R-free 0.257
3ZH8 A novel small molecule aPKC inhibitor Deposited 2012-12-20 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 248–596（349 aa） Fragment：KINASE DOMAIN, RESIDUES 248-596
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) IOD IODIDE ION × 4 CL CHLORIDE ION × 1 C58 (2S)-3-phenyl-N~1~-[2-(pyridin-4-yl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]propane-1,2-diamine × 1 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions 0.2M AMMONIUM IODIDE AND 20%(W/V) PEG3350.
Resolution 2.74 Å R-free 0.257
5LI1 Structure of a Par3-inhibitory peptide bound to PKCiota core kinase domain Deposited 2016-07-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 248–596（349 aa） Fragment：UNP residues 246-589
Non-standard monomer：Yes (specific site not provided by mmCIF) ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 GOL GLYCEROL × 1 K POTASSIUM ION × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；32% Peg 2000 MME, 0.08 M KSCN
Resolution 2.00 Å R-free 0.217
5LI9 Structure of a nucleotide-bound form of PKCiota core kinase domain Deposited 2016-07-14 Different construct Different mutation/modification 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 248–596（349 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 1 FMT FORMIC ACID × 7 IMD IMIDAZOLE × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 PEG DI(HYDROXYETHYL)ETHER × 3 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.3；293 K；25% Morpheus precipitant mix 4, 10% Morpheus Carboxylic acids, Morpheus Buffer system 1
Resolution 1.79 Å R-free 0.231
5LIH Structure of a peptide-substrate bound to PKCiota core kinase domain Deposited 2016-07-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 248–596（349 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ADP ADENOSINE-5'-DIPHOSPHATE × 1 AF3 ALUMINUM FLUORIDE × 2 MN MANGANESE (II) ION × 3 SCN THIOCYANATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；32% Peg 2000 MME, 0.08 M KSCN
Resolution 3.25 Å R-free 0.284
5LIH Structure of a peptide-substrate bound to PKCiota core kinase domain Deposited 2016-07-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 248–596（349 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ADP ADENOSINE-5'-DIPHOSPHATE × 1 AF3 ALUMINUM FLUORIDE × 2 MN MANGANESE (II) ION × 2 SCN THIOCYANATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；32% Peg 2000 MME, 0.08 M KSCN
Resolution 3.25 Å R-free 0.284
6ILZ Crystal structure of PKCiota in complex with inhibitor Deposited 2018-10-21 Different construct Different mutation/modification 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 249–588（340 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) AFU 2-amino-5-[3-(piperazin-1-yl)phenyl]-N-(pyridin-4-yl)pyridine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M BIS-TRIS 6.5, 28 % w/v Polyethylene glycol monomethyl ether 2000
Resolution 3.26 Å R-free 0.348
6ILZ Crystal structure of PKCiota in complex with inhibitor Deposited 2018-10-21 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 249–588（340 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) AFU 2-amino-5-[3-(piperazin-1-yl)phenyl]-N-(pyridin-4-yl)pyridine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M BIS-TRIS 6.5, 28 % w/v Polyethylene glycol monomethyl ether 2000
Resolution 3.26 Å R-free 0.348
6ILZ Crystal structure of PKCiota in complex with inhibitor Deposited 2018-10-21 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 249–588（340 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) AFU 2-amino-5-[3-(piperazin-1-yl)phenyl]-N-(pyridin-4-yl)pyridine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M BIS-TRIS 6.5, 28 % w/v Polyethylene glycol monomethyl ether 2000
Resolution 3.26 Å R-free 0.348
6ILZ Crystal structure of PKCiota in complex with inhibitor Deposited 2018-10-21 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain G 249–588（340 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) AFU 2-amino-5-[3-(piperazin-1-yl)phenyl]-N-(pyridin-4-yl)pyridine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M BIS-TRIS 6.5, 28 % w/v Polyethylene glycol monomethyl ether 2000
Resolution 3.26 Å R-free 0.348
8R3X Crystal structure of aPKC Iota kinase domain with LLGL2 peptide Deposited 2023-11-10 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 241–596（356 aa）
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, SITTING DROP；pH 6.5；300 K；Morpheus Condition: 25% (v/v) MPD, 25% (v/v) PEG 1000, 25% (v/v) PEG 3350, 0.3 M NaNO3, 0.3 M Na2HPO4, 0.3 M (NH4)2SO4, 0.1 M MES/imidazole pH 6.5
Resolution 2.59 Å R-free 0.269
8R3X Crystal structure of aPKC Iota kinase domain with LLGL2 peptide Deposited 2023-11-10 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 241–596（356 aa）
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, SITTING DROP；pH 6.5；300 K；Morpheus Condition: 25% (v/v) MPD, 25% (v/v) PEG 1000, 25% (v/v) PEG 3350, 0.3 M NaNO3, 0.3 M Na2HPO4, 0.3 M (NH4)2SO4, 0.1 M MES/imidazole pH 6.5
Resolution 2.59 Å R-free 0.269
8R3Y Cryo EM structure of a stable LGL/aPKC Iota/Par-6 complex Deposited 2023-11-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain I 248–585（338 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE；4 ul of aPKCiota-Par6-Llgl1 complex at a concentration of 0.4 mg/ml was applied to R1.2/1.3 Quantifoil 300 mesh copper grids which had been glow-discharged for 45 s at 45 mA . Grids were blotted for 2.5 s at 100% humidity using an FEI Vitrobot MK IV.
Resolution 3.68 Å
9EJK Lgl2 bound to the aPKCiota-Par6b complex in nucleotide-free form. Head sub-complex region subtracted Deposited 2024-11-28 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–596（596 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.08 Å
9EJL Lgl2 bound to the aPKCiota-Par6B complex in nucleotide-free form. Conformation with visible head sub-complex. Deposited 2024-11-28 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–596（596 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.48 Å
9EJM Lgl2 bound to the aPKCiota-Par6B complex in its ADP-bound form Deposited 2024-11-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 1–596（596 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.33 Å

14 other PDB entries and 25 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name KPCI_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 6–89； UniProt 16–99

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.

SAXS scattering curve SAXS Profile

SAXS profile for 1vd2

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1vd2
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1vd2
Deposition date deposition_date2004-03-18
Structure title titleSolution Structure of the PB1 domain of PKCiota
Keywords keywordsKinase, PB1 domain, OPCA motif, aPKC, ZIP/p62, MEK5, molecular recognition, transferase; TRANSFERASE
Experimental Method methodSOLUTION NMR
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier13.24 Å
Radius of gyration Rg (electron density) rg_electron12.76 Å
Forward intensity I(0) i0611001000.00
Molecular weight molecular_weight206050.0 kDa
Excluded volume excluded_volume255620 ų
Envelope volume envelope_volume22658 ų
Hydration-shell volume shell_volume13223 ų
Envelope diameter envelope_diameter48.2 Å
Shell Rg shell_rg20.35 Å
Envelope Rg envelope_rg14.82 Å
Shape Rg shape_rg12.73 Å
Total Rg total_rg12.98 Å
Total atoms total_atoms28180
Residues n_residues1780
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax41.0 Å
Rg (real space) rg_real13.15 Å
Rg uncertainty (real space) rg_real_error0.32 Å
I(0) (real space) i0_real6.1100e+08
I(0) uncertainty (real space) i0_real_error6.0150e+06
Rg (reciprocal space) rg_reciprocal13.16 Å
I(0) (reciprocal space) i0_reciprocal611000000.0000
Solution quality estimate total_estimate0.8083
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary17.1 Å
Skewness Skewness skewness0.137
Kurtosis Kurtosis kurtosis-0.223
Angular range angular_range— – 0.5000 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha177500.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.840; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.987; Smooth: 0.000
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (1)

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7. Fold Classification (SCOP + CATH) 3 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd1vd2a1
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.15 — beta-Grasp (ubiquitin-like)
Superfamily Superfamily superfamilyd.15.2 — CAD & PB1 domains
Family Family familyd.15.2.2 — PB1 domain
Domain ID domain_idd1vd2a2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags

CATH v4.4 (1 domains)

Domain ID domain_id1vd2A00
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology20 — Ubiquitin-like (UB roll)
Homologous superfamily homologous superfamily90 — Phosphatidylinositol 3-kinase Catalytic Subunit; Chain A, domain 1
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8. Citations (1)

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9. Files and Curves (10)