1bm2

GRB2-SH2 DOMAIN IN COMPLEX WITH CYCLO-[N-ALPHA-ACETYL-L-THI ALYSYL-O-PHOSPHOTYROSYL-VALYL-ASPARAGYL-VALYL-PROLYL] (PKF273-791)

Method: X-RAY DIFFRACTION Dmax: 46.9 Å Quality: GOOD

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

No usable UniProt protein identity is available for this entry.

七张关系表仍保留该条目的 assembly 与组成信息,但缺少统一蛋白身份时,不能可靠建立跨 PDB 的同蛋白Chain接。

Assembly Composition of the Current Entry

Assembly Oligomeric State 实体与Construct证据 Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer 蛋白 2 / DNA 0 / RNA 0 / 其他Polymer 0 PDB declaration: dimeric Entity 1:PROTEIN (GROWTH FACTOR RECEPTOR BOUND PROTEIN 2) × 1 Entity 2:PROTEIN (PKF273-791) × 1 缺少 UniProt 身份时不显示参考序列区间 Entity 1Fragment:SH2 DOMAIN Non-standard monomer:Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION X-ray crystallization conditions:pH 7;PROTEIN (15MG/ML IN 100MM SODIUM CHLORIDE, 0.02% SODIUM AZIDE) WAS CRYSTALLIZED FROM 30% SATURATED AMMONIUM SULFATE, 100MM SODIUM HEPES PH 7.0, IN PRESENCE OF A 2-FOLD EXCESS OF LIGAND Resolution 2.10 Å R-free 0.232
2 Protein heterocomplex Heteromer 蛋白 4 / DNA 0 / RNA 0 / 其他Polymer 0 PDB declaration: tetrameric Entity 1:PROTEIN (GROWTH FACTOR RECEPTOR BOUND PROTEIN 2) × 2 Entity 2:PROTEIN (PKF273-791) × 2 缺少 UniProt 身份时不显示参考序列区间 Entity 1Fragment:SH2 DOMAIN Non-standard monomer:Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION X-ray crystallization conditions:pH 7;PROTEIN (15MG/ML IN 100MM SODIUM CHLORIDE, 0.02% SODIUM AZIDE) WAS CRYSTALLIZED FROM 30% SATURATED AMMONIUM SULFATE, 100MM SODIUM HEPES PH 7.0, IN PRESENCE OF A 2-FOLD EXCESS OF LIGAND Resolution 2.10 Å R-free 0.232

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 1bm2

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1bm2
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1bm2
Deposition date deposition_date1998-07-27
Structure title titleGRB2-SH2 DOMAIN IN COMPLEX WITH CYCLO-[N-ALPHA-ACETYL-L-THI ALYSYL-O-PHOSPHOTYROSYL-VALYL-ASPARAGYL-VALYL-PROLYL] (PKF273-791)
Keywords keywordsSH2 DOMAIN, SIGNAL TRANSDUCTION, ADAPTOR PROTEIN, RAS PATHWAY, CYCLIC PEPTIDE, HORMONE-GROWTH FACTOR COMPLEX; HORMONE/GROWTH FACTOR
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier14.28
Radius of gyration Rg (electron density) rg_electron12.89
Forward intensity I(0) i02975640.00
Molecular weight molecular_weight12029.0 kDa
Excluded volume excluded_volume15045 ų
Envelope volume envelope_volume16848 ų
Hydration-shell volume shell_volume11107 ų
Envelope diameter envelope_diameter45.3
Shell Rg shell_rg18.72
Envelope Rg envelope_rg13.30
Shape Rg shape_rg12.84
Total Rg total_rg14.33
Total atoms total_atoms851
Residues n_residues102
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 dmax46.9
Rg (real space) rg_real14.19
Rg uncertainty (real space) rg_real_error0.26
I(0) (real space) i0_real2.9760e+06
I(0) uncertainty (real space) i0_real_error3.3600e+04
Rg (reciprocal space) rg_reciprocal14.20
I(0) (reciprocal space) i0_reciprocal2976000.0000
Solution quality estimate total_estimate0.8673
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary45.7
Skewness Skewness skewness0.112
Kurtosis Kurtosis kurtosis-0.274
Angular range angular_range— – 0.5000 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha655600.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.762; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.986

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (3)

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd1bm2a_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.93 — SH2-like
Superfamily Superfamily superfamilyd.93.1 — SH2 domain
Family Family familyd.93.1.1 — SH2 domain

CATH v4.4 (1 domains)

Domain ID domain_id1bm2A00
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology505 — SHC Adaptor Protein
Homologous superfamily homologous superfamily10 — SH2 domain

8. Citations (1)

9. Files and Curves (10)