2j6k

N-TERMINAL SH3 DOMAIN OF CMS (CD2AP HUMAN HOMOLOG)

Method: X-RAY DIFFRACTION D_max: 121.7 Å Quality: GOOD

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

CD2-ASSOCIATED PROTEIN

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 1–62	Fragment：SH3, RESIDUES 1-62	NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.1；0.1 M SODIUM CITRATE PH 6.1, 25% PEG 4000, 20% ISOPROPANOL	Resolution 2.77 Å R-free 0.274
10	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain J； UniProt 1–62	Fragment：SH3, RESIDUES 1-62	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.1；0.1 M SODIUM CITRATE PH 6.1, 25% PEG 4000, 20% ISOPROPANOL	Resolution 2.77 Å R-free 0.274
11	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain K； UniProt 1–62	Fragment：SH3, RESIDUES 1-62	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.1；0.1 M SODIUM CITRATE PH 6.1, 25% PEG 4000, 20% ISOPROPANOL	Resolution 2.77 Å R-free 0.274
12	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain L； UniProt 1–62	Fragment：SH3, RESIDUES 1-62	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.1；0.1 M SODIUM CITRATE PH 6.1, 25% PEG 4000, 20% ISOPROPANOL	Resolution 2.77 Å R-free 0.274
2	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain B； UniProt 1–62	Fragment：SH3, RESIDUES 1-62	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.1；0.1 M SODIUM CITRATE PH 6.1, 25% PEG 4000, 20% ISOPROPANOL	Resolution 2.77 Å R-free 0.274
3	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain C； UniProt 1–62	Fragment：SH3, RESIDUES 1-62	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.1；0.1 M SODIUM CITRATE PH 6.1, 25% PEG 4000, 20% ISOPROPANOL	Resolution 2.77 Å R-free 0.274
4	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain D； UniProt 1–62	Fragment：SH3, RESIDUES 1-62	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.1；0.1 M SODIUM CITRATE PH 6.1, 25% PEG 4000, 20% ISOPROPANOL	Resolution 2.77 Å R-free 0.274
5	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain E； UniProt 1–62	Fragment：SH3, RESIDUES 1-62	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.1；0.1 M SODIUM CITRATE PH 6.1, 25% PEG 4000, 20% ISOPROPANOL	Resolution 2.77 Å R-free 0.274
6	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain F； UniProt 1–62	Fragment：SH3, RESIDUES 1-62	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.1；0.1 M SODIUM CITRATE PH 6.1, 25% PEG 4000, 20% ISOPROPANOL	Resolution 2.77 Å R-free 0.274
7	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain G； UniProt 1–62	Fragment：SH3, RESIDUES 1-62	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.1；0.1 M SODIUM CITRATE PH 6.1, 25% PEG 4000, 20% ISOPROPANOL	Resolution 2.77 Å R-free 0.274
8	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain H； UniProt 1–62	Fragment：SH3, RESIDUES 1-62	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.1；0.1 M SODIUM CITRATE PH 6.1, 25% PEG 4000, 20% ISOPROPANOL	Resolution 2.77 Å R-free 0.274
9	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain I； UniProt 1–62	Fragment：SH3, RESIDUES 1-62	NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：pH 6.1；0.1 M SODIUM CITRATE PH 6.1, 25% PEG 4000, 20% ISOPROPANOL	Resolution 2.77 Å R-free 0.274

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 2J6K	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2FEI Solution structure of the second SH3 domain of Human CMS protein Deposited 2005-12-15	Different construct Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 111–166（56 aa） Fragment：The second SH3 domain	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6.85；295 K；Pressure 1 NMR sample composition 1.0-2.0mM 15N, 13C-labeled CMS SH3 domain, 20mM phosphate buffer (pH 6.85), 50mM sodium chloride, 90% H2O, 10% D2O \| 90% H2O/10% D2O NMR sample composition 1.0-2.0mM 15N, 13C-labeled CMS SH3 domain, 20mM phosphate buffer (pH 6.85), 50mM sodium chloride, 100% D2O \| 100% D2O	Resolution not provided
2J6F N-TERMINAL SH3 DOMAIN OF CMS (CD2AP HUMAN HOMOLOG) BOUND TO CBL-B PEPTIDE Deposited 2006-09-28	Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–62（62 aa） Fragment：SH3, RESIDUES 1-62	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；20% PEG3000, 0.1M ACETATE PH 5.5	Resolution 1.70 Å R-free 0.218
2J6O ATYPICAL POLYPROLINE RECOGNITION BY THE CMS N-TERMINAL SH3 DOMAIN. CMS:CD2 HETEROTRIMER Deposited 2006-10-02	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–62（62 aa） Fragment：SH3 DOMAIN, RESIDUES 1-62	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 5.5；20% PEG3000, 0.1M ACETATE PH 5.5	Resolution 2.23 Å R-free 0.286
2J7I ATYPICAL POLYPROLINE RECOGNITION BY THE CMS N-TERMINAL SH3 DOMAIN. CMS:CD2 HETERODIMER Deposited 2006-10-09	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–62（62 aa） Fragment：SH3 DOMAIN, RESIDUES 1-62	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；30% PEG8000, 0.2M NACL, 0.1M TRIS-HCL PH 8.0	Resolution 2.90 Å R-free 0.295
2J7I ATYPICAL POLYPROLINE RECOGNITION BY THE CMS N-TERMINAL SH3 DOMAIN. CMS:CD2 HETERODIMER Deposited 2006-10-09	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 1–62（62 aa） Fragment：SH3 DOMAIN, RESIDUES 1-62	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；30% PEG8000, 0.2M NACL, 0.1M TRIS-HCL PH 8.0	Resolution 2.90 Å R-free 0.295
3AA6 Crystal structure of Actin capping protein in complex with the Cp-binding motif derived from CD2AP Deposited 2009-11-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 485–507（23 aa） Fragment：recidues 485-507	Not recorded	BA BARIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；10% PEG 400, 20MM BACL2, 100MM MES-NAOH, PH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 1.90 Å R-free 0.238
3LK4 Crystal structure of CapZ bound to the uncapping motif from CD2AP Deposited 2010-01-27	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 475–503（29 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；30% PEG 400, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.99 Å R-free 0.272
3LK4 Crystal structure of CapZ bound to the uncapping motif from CD2AP Deposited 2010-01-27	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 10 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain 3 475–503（29 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；30% PEG 400, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.99 Å R-free 0.272
3LK4 Crystal structure of CapZ bound to the uncapping motif from CD2AP Deposited 2010-01-27	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 11 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain 6 475–503（29 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；30% PEG 400, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.99 Å R-free 0.272
3LK4 Crystal structure of CapZ bound to the uncapping motif from CD2AP Deposited 2010-01-27	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 12 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain 9 475–503（29 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；30% PEG 400, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.99 Å R-free 0.272
3LK4 Crystal structure of CapZ bound to the uncapping motif from CD2AP Deposited 2010-01-27	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain F 475–503（29 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；30% PEG 400, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.99 Å R-free 0.272
3LK4 Crystal structure of CapZ bound to the uncapping motif from CD2AP Deposited 2010-01-27	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain I 475–503（29 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；30% PEG 400, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.99 Å R-free 0.272
3LK4 Crystal structure of CapZ bound to the uncapping motif from CD2AP Deposited 2010-01-27	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain L 475–503（29 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；30% PEG 400, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.99 Å R-free 0.272
3LK4 Crystal structure of CapZ bound to the uncapping motif from CD2AP Deposited 2010-01-27	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 5 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain O 475–503（29 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；30% PEG 400, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.99 Å R-free 0.272
3LK4 Crystal structure of CapZ bound to the uncapping motif from CD2AP Deposited 2010-01-27	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 6 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain R 475–503（29 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；30% PEG 400, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.99 Å R-free 0.272
3LK4 Crystal structure of CapZ bound to the uncapping motif from CD2AP Deposited 2010-01-27	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 7 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain U 475–503（29 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；30% PEG 400, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.99 Å R-free 0.272
3LK4 Crystal structure of CapZ bound to the uncapping motif from CD2AP Deposited 2010-01-27	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 8 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain X 475–503（29 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；30% PEG 400, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.99 Å R-free 0.272
3LK4 Crystal structure of CapZ bound to the uncapping motif from CD2AP Deposited 2010-01-27	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 9 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain 0 475–503（29 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；30% PEG 400, 0.1M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.99 Å R-free 0.272
3U23 Atomic resolution crystal structure of the 2nd SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide from human RIN3 Deposited 2011-09-30	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 109–168（60 aa） Fragment：unp residues 109-168	Not recorded	EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.1 M HEPES pH 7.5, 1.4 M tri-sodium citrate dihydrate, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 1.11 Å R-free 0.167
4WCI Crystal structure of the 1st SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide (aa 378-393) from human RIN3 Deposited 2014-09-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–60（60 aa） Fragment：UNP residues 1-60	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Ca(ac) pH 4.2, 0.2 M Li2SO4 and 25% PEG 10 000	Resolution 1.65 Å R-free 0.219
4WCI Crystal structure of the 1st SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide (aa 378-393) from human RIN3 Deposited 2014-09-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 1–60（60 aa） Fragment：UNP residues 1-60	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Ca(ac) pH 4.2, 0.2 M Li2SO4 and 25% PEG 10 000	Resolution 1.65 Å R-free 0.219
4WCI Crystal structure of the 1st SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide (aa 378-393) from human RIN3 Deposited 2014-09-04	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 1–60（60 aa） Fragment：UNP residues 1-60	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Ca(ac) pH 4.2, 0.2 M Li2SO4 and 25% PEG 10 000	Resolution 1.65 Å R-free 0.219
4X1V Crystal structure of the 2nd SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide (aa 76-91) from human ARAP1 Deposited 2014-11-25	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 109–168（60 aa） Fragment：UNP residues 109-168	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.1 M HEPES pH 7.5, 1.4 M tri-sodium citrate dehydrate	Resolution 1.58 Å R-free 0.200
7DS6 Crystal structure of actin capping protein in complex with twinflin-1/CD2AP CPI chimera peptide (TWN-CDC) Deposited 2020-12-30	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 496–507（12 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；5% (w/v) PEG 3350, 5% (v/v) ethanol, 50mM Tris-HCl (pH = 7.0)	Resolution 1.69 Å R-free 0.253
7DS8 Crystal structure of actin capping protein in complex with twinflin-1/CD2AP CPI chimera peptide (CDN-TWC) Deposited 2020-12-30	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric	Chain C 485–493（9 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；4% (w/v) PEG 3350, 50mM Tris-HCl (pH = 7.0)	Resolution 1.95 Å R-free 0.233

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

View Construct and Data Evidence

UniProt name	CD2AP_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–62； UniProt 1–62 Author chain B； PDBConstruct 1–62； UniProt 1–62 Author chain C； PDBConstruct 1–62； UniProt 1–62 Author chain D； PDBConstruct 1–62； UniProt 1–62 Author chain E； PDBConstruct 1–62； UniProt 1–62 Author chain F； PDBConstruct 1–62； UniProt 1–62 Author chain G； PDBConstruct 1–62； UniProt 1–62 Author chain H； PDBConstruct 1–62； UniProt 1–62 Author chain I； PDBConstruct 1–62； UniProt 1–62 Author chain J； PDBConstruct 1–62； UniProt 1–62 Author chain K； PDBConstruct 1–62； UniProt 1–62 Author chain L； PDBConstruct 1–62； UniProt 1–62

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

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	2j6k
Deposition date deposition_date	2006-09-29
Structure title title	N-TERMINAL SH3 DOMAIN OF CMS (CD2AP HUMAN HOMOLOG)
Keywords keywords	;PHOSPHORYLATION, ADAPTOR PROTEIN, EGFR DOWNREGULATION, SH3, SH3 DOMAIN, SH3-BINDING, CD2 ASSOCIATED PROTEIN, CYTOSKELETAL REARRANGEMENTS, SURFACE ACTIVE PROTEIN, SIGNALING PROTEIN, PROTEIN BINDING ;; PROTEIN BINDING
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	43.42 Å
Radius of gyration Rg (electron density) rg_electron	42.42 Å
Forward intensity I(0) i0	100446000.00
Molecular weight molecular_weight	80836.0 kDa
Excluded volume excluded_volume	101070 Å³
Envelope volume envelope_volume	180440 Å³
Hydration-shell volume shell_volume	36861 Å³
Envelope diameter envelope_diameter	129.0 Å
Shell Rg shell_rg	47.35 Å
Envelope Rg envelope_rg	38.83 Å
Shape Rg shape_rg	42.40 Å
Total Rg total_rg	42.83 Å
Total atoms total_atoms	5714
Residues n_residues	684
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	121.7 Å
Rg (real space) rg_real	43.25 Å
Rg uncertainty (real space) rg_real_error	1.03 Å
I(0) (real space) i0_real	1.0040e+08
I(0) uncertainty (real space) i0_real_error	1.8890e+06
Rg (reciprocal space) rg_reciprocal	43.42 Å
I(0) (reciprocal space) i0_reciprocal	100500000.0000
Solution quality estimate total_estimate	0.8248
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	60.9 Å
Skewness Skewness skewness	-0.053
Kurtosis Kurtosis kurtosis	-0.595
Angular range angular_range	— – 0.1800 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	3548000.0000
Real-space data points n_real_points	37
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.899; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.997; Smooth: 0.024

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	CD2-ASSOCIATED PROTEIN
Molecular weight formula_weight	7412.3 kDa
Source method src_method	man
Copy count entity_count	12

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D,E,F,G,H,I,J,K,L
Atom count atom_count	5881

MVDYIVEYDYDAVHDDELTIRVGEIIRNVKKLQEEGWLEGELNGRRGMFPDNFVKEIKRETE

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 2 Entity 2 non-polymer

Description description	SODIUM ION
Molecular weight formula_weight	23.0 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	95

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7. Fold Classification (SCOP + CATH) 24 domains

SCOP 2.08 (12 domains)

Domain ID domain_id	d2j6ka_
Class class	b — All beta proteins
Fold Fold fold	b.34 — SH3-like barrel
Superfamily Superfamily superfamily	b.34.2 — SH3-domain
Family Family family	b.34.2.0 — automated matches

Domain ID domain_id	d2j6kb_
Class class	b — All beta proteins
Fold Fold fold	b.34 — SH3-like barrel
Superfamily Superfamily superfamily	b.34.2 — SH3-domain
Family Family family	b.34.2.0 — automated matches

Domain ID domain_id	d2j6kc_
Class class	b — All beta proteins
Fold Fold fold	b.34 — SH3-like barrel
Superfamily Superfamily superfamily	b.34.2 — SH3-domain
Family Family family	b.34.2.0 — automated matches

Domain ID domain_id	d2j6kd_
Class class	b — All beta proteins
Fold Fold fold	b.34 — SH3-like barrel
Superfamily Superfamily superfamily	b.34.2 — SH3-domain
Family Family family	b.34.2.0 — automated matches

Domain ID domain_id	d2j6ke_
Class class	b — All beta proteins
Fold Fold fold	b.34 — SH3-like barrel
Superfamily Superfamily superfamily	b.34.2 — SH3-domain
Family Family family	b.34.2.0 — automated matches

Domain ID domain_id	d2j6kf_
Class class	b — All beta proteins
Fold Fold fold	b.34 — SH3-like barrel
Superfamily Superfamily superfamily	b.34.2 — SH3-domain
Family Family family	b.34.2.0 — automated matches

Domain ID domain_id	d2j6kg_
Class class	b — All beta proteins
Fold Fold fold	b.34 — SH3-like barrel
Superfamily Superfamily superfamily	b.34.2 — SH3-domain
Family Family family	b.34.2.0 — automated matches

Domain ID domain_id	d2j6kh_
Class class	b — All beta proteins
Fold Fold fold	b.34 — SH3-like barrel
Superfamily Superfamily superfamily	b.34.2 — SH3-domain
Family Family family	b.34.2.0 — automated matches

Domain ID domain_id	d2j6ki_
Class class	b — All beta proteins
Fold Fold fold	b.34 — SH3-like barrel
Superfamily Superfamily superfamily	b.34.2 — SH3-domain
Family Family family	b.34.2.0 — automated matches

Domain ID domain_id	d2j6kj_
Class class	b — All beta proteins
Fold Fold fold	b.34 — SH3-like barrel
Superfamily Superfamily superfamily	b.34.2 — SH3-domain
Family Family family	b.34.2.0 — automated matches

Domain ID domain_id	d2j6kk_
Class class	b — All beta proteins
Fold Fold fold	b.34 — SH3-like barrel
Superfamily Superfamily superfamily	b.34.2 — SH3-domain
Family Family family	b.34.2.0 — automated matches

Domain ID domain_id	d2j6kl_
Class class	b — All beta proteins
Fold Fold fold	b.34 — SH3-like barrel
Superfamily Superfamily superfamily	b.34.2 — SH3-domain
Family Family family	b.34.2.0 — automated matches

CATH v4.4 (12 domains)

Domain ID domain_id	2j6kA00
Class class	2 — Mainly Beta
Architecture architecture	30 — Roll
Topology topology	30 — SH3 type barrels.
Homologous superfamily homologous superfamily	40 — SH3 Domains

Domain ID domain_id	2j6kB00
Class class	2 — Mainly Beta
Architecture architecture	30 — Roll
Topology topology	30 — SH3 type barrels.
Homologous superfamily homologous superfamily	40 — SH3 Domains

Domain ID domain_id	2j6kC00
Class class	2 — Mainly Beta
Architecture architecture	30 — Roll
Topology topology	30 — SH3 type barrels.
Homologous superfamily homologous superfamily	40 — SH3 Domains

Domain ID domain_id	2j6kD00
Class class	2 — Mainly Beta
Architecture architecture	30 — Roll
Topology topology	30 — SH3 type barrels.
Homologous superfamily homologous superfamily	40 — SH3 Domains

Domain ID domain_id	2j6kE00
Class class	2 — Mainly Beta
Architecture architecture	30 — Roll
Topology topology	30 — SH3 type barrels.
Homologous superfamily homologous superfamily	40 — SH3 Domains

Domain ID domain_id	2j6kF00
Class class	2 — Mainly Beta
Architecture architecture	30 — Roll
Topology topology	30 — SH3 type barrels.
Homologous superfamily homologous superfamily	40 — SH3 Domains

Domain ID domain_id	2j6kG00
Class class	2 — Mainly Beta
Architecture architecture	30 — Roll
Topology topology	30 — SH3 type barrels.
Homologous superfamily homologous superfamily	40 — SH3 Domains

Domain ID domain_id	2j6kH00
Class class	2 — Mainly Beta
Architecture architecture	30 — Roll
Topology topology	30 — SH3 type barrels.
Homologous superfamily homologous superfamily	40 — SH3 Domains

Domain ID domain_id	2j6kI00
Class class	2 — Mainly Beta
Architecture architecture	30 — Roll
Topology topology	30 — SH3 type barrels.
Homologous superfamily homologous superfamily	40 — SH3 Domains

Domain ID domain_id	2j6kJ00
Class class	2 — Mainly Beta
Architecture architecture	30 — Roll
Topology topology	30 — SH3 type barrels.
Homologous superfamily homologous superfamily	40 — SH3 Domains

Domain ID domain_id	2j6kK00
Class class	2 — Mainly Beta
Architecture architecture	30 — Roll
Topology topology	30 — SH3 type barrels.
Homologous superfamily homologous superfamily	40 — SH3 Domains

Domain ID domain_id	2j6kL00
Class class	2 — Mainly Beta
Architecture architecture	30 — Roll
Topology topology	30 — SH3 type barrels.
Homologous superfamily homologous superfamily	40 — SH3 Domains

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8. Citations (1)

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Unit-cell length a length_a	120.018 Å
Unit-cell length b length_b	120.018 Å
Unit-cell length c length_c	153.930 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	96

Space group space_group	I 4
Space-group number int_tables_number	79
Crystal system crystal_system	—

Resolution resolution	2.770 Å
Low-resolution limit resolution_low	94.490 Å
R factor r_factor	0.2110
R_work r_work	0.2080
R_free r_free	0.2740

fit	/app/data/saxs_computation/j6/2j6k/2j6k.fit
pddf	/app/data/pr_computation/j6/2j6k/2j6k.pr.out
profile	/app/data/saxs_computation/j6/2j6k/2j6k.dat