2euf

X-ray structure of human CDK6-Vcyclin in complex with the inhibitor PD0332991

Method: X-RAY DIFFRACTION Dmax: 79.2 Å Quality: EXCELLENT

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

viral Cyclin

Herpesvirus saimiri (strain 11)

UniProt Q01043

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 1–254 Not recorded Cell division protein kinase 6 × 1 (Q00534) CA CALCIUM ION × 1 ACT ACETATE ION × 1 LQQ 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 8;295 K;50 mM Tris/HCl pH 8.0, 0.1 M CaAcetate, 10% PEG3350, 10 mM DTT, VAPOR DIFFUSION, SITTING DROP, temperature 295K Resolution 3.00 Å R-free 0.306

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.

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

View Construct and Data Evidence
UniProt name CGH2_SHV21
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–254; UniProt 1–254

Cell division protein kinase 6

Homo sapiens

UniProt Q00534

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 1–308 Fragment:fragment 1-308 viral Cyclin × 1 (Q01043) CA CALCIUM ION × 1 ACT ACETATE ION × 1 LQQ 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 8;295 K;50 mM Tris/HCl pH 8.0, 0.1 M CaAcetate, 10% PEG3350, 10 mM DTT, VAPOR DIFFUSION, SITTING DROP, temperature 295K Resolution 3.00 Å R-free 0.306

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.

21 other PDB entries and 24 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CDK6_HUMAN
Isoform
PDB entities 2
Chains and sequence ranges Author chain B; PDBConstruct 1–308; UniProt 1–308

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 2euf

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2euf
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2. Structure Basics 2. Structure Basics

Entry ID entry_id2euf
Deposition date deposition_date2005-10-28
Structure title titleX-ray structure of human CDK6-Vcyclin in complex with the inhibitor PD0332991
Keywords keywordsinhibitor complex of human cyclin-dependent kinase 6, CELL CYCLE-TRANSFERASE COMPLEX; CELL CYCLE/TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier25.16
Radius of gyration Rg (electron density) rg_electron24.06
Forward intensity I(0) i051311400.00
Molecular weight molecular_weight57979.0 kDa
Excluded volume excluded_volume73647 ų
Envelope volume envelope_volume87280 ų
Hydration-shell volume shell_volume29690 ų
Envelope diameter envelope_diameter81.4
Shell Rg shell_rg31.77
Envelope Rg envelope_rg24.34
Shape Rg shape_rg24.08
Total Rg total_rg24.90
Total atoms total_atoms4083
Residues n_residues526
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −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

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

Maximum dimension Dmax dmax79.2
Rg (real space) rg_real25.08
Rg uncertainty (real space) rg_real_error0.40
I(0) (real space) i0_real5.1310e+07
I(0) uncertainty (real space) i0_real_error7.2750e+05
Rg (reciprocal space) rg_reciprocal25.11
I(0) (reciprocal space) i0_reciprocal51310000.0000
Solution quality estimate total_estimate0.9041
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary28.9
Skewness Skewness skewness0.247
Kurtosis Kurtosis kurtosis-0.481
Angular range angular_range— – 0.3150 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha18480000.0000
Real-space data points n_real_points64
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.923; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.979

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (7)

7. Fold Classification (SCOP + CATH) 7 domains

SCOP 2.08 (3 domains)

Domain ID domain_idd2eufa1
Class classa — All alpha proteins
Fold Fold folda.74 — Cyclin-like
Superfamily Superfamily superfamilya.74.1 — Cyclin-like
Family Family familya.74.1.1 — Cyclin
Domain ID domain_idd2eufa2
Class classa — All alpha proteins
Fold Fold folda.74 — Cyclin-like
Superfamily Superfamily superfamilya.74.1 — Cyclin-like
Family Family familya.74.1.1 — Cyclin
Domain ID domain_idd2eufb_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamilyd.144.1 — Protein kinase-like (PK-like)
Family Family familyd.144.1.7 — Protein kinases, catalytic subunit

CATH v4.4 (4 domains)

Domain ID domain_id2eufA01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology472 — Cyclin A; domain 1
Homologous superfamily homologous superfamily10 — Cyclin-like
Domain ID domain_id2eufA02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology472 — Cyclin A; domain 1
Homologous superfamily homologous superfamily10 — Cyclin-like
Domain ID domain_id2eufB01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily20 — Phosphorylase Kinase; domain 1
Domain ID domain_id2eufB02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1

8. Citations (1)

9. Files and Curves (10)