4WCI: 1st SH3 domain from human CD2AP

Crystal structure of the 1st SH3 domain from human CD2AP (CMS) in complex with a proline-rich peptide (aa 378-393) from human RIN3. Determined by X-ray diffraction at 1.65 Å resolution. Released 19 Aug 2015.

Method: X-ray diffraction
Resolution: 1.65 Å
Organism: Homo sapiens
Chains: 6
Atoms: 2,104
Mol. weight: 28.45 kDa
Released: 19 Aug 2015

Explore 4WCI in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4WCI contains 10 α-helices and 27 β-strands across 6 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 2 helices, 9 β-strands

Element	Residues	Length	Sheet
β-strand	4-6	3	1
β-strand	10	1	2
β-strand	17	1	3
α-helix	18-19	2
β-strand	20	1	2
α-helix	24	1
β-strand	25-26	2	1
β-strand	27-30	4	3
β-strand	37-42	6	3
β-strand	45-50	6	3
β-strand	54-56	3	1

Chain B: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	382-388	7

Chain C: 2 helices, 9 β-strands

Element	Residues	Length	Sheet
β-strand	4-6	3	4
β-strand	10	1	5
β-strand	17	1	6
α-helix	18-19	2
β-strand	20	1	5
β-strand	25-26	2	4
β-strand	27-30	4	6
β-strand	37-42	6	6
β-strand	45-50	6	6
α-helix	51-53	3
β-strand	54-56	3	4

Chain D: 2 helices, 0 β-strands

Element	Residues	Length	Sheet
α-helix	381-383	3
α-helix	385-388	4

Chain E: 2 helices, 9 β-strands

Element	Residues	Length	Sheet
α-helix	0-2	3
β-strand	4-6	3	7
β-strand	10	1	8
β-strand	17	1	9
α-helix	18-19	2
β-strand	20	1	8
β-strand	25-26	2	7
β-strand	27-30	4	9
β-strand	37-42	6	9
β-strand	45-50	6	9
β-strand	54-56	3	7

Chain F: 1 helix, 0 β-strands

Element	Residues	Length	Sheet
α-helix	385-388	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
CD2-associated protein	A, C, E	protein	65	Homo sapiens	Q9Y5K6 (AlphaFold model)
Ras and Rab interactor 3	B, D, F	protein	16	Homo sapiens	Q8TB24 (AlphaFold model)

Sequence of entity 1 (A, C, E), FASTA

>4WCI_1 CD2-associated protein (chains A, C, E)
GPLGSMVDYIVEYDYDAVHDDELTIRVGEIIRNVKKLQEEGWLEGELNGRRGMFPDNFVK
EIKRE

Sequence of entity 2 (B, D, F), FASTA

>4WCI_2 Ras and Rab interactor 3 (chains B, D, F)
AKKNLPTAPPRRRVSE

Primary citation

Differential Recognition Preferences of the Three Src Homology 3 (SH3) Domains from the Adaptor CD2-associated Protein (CD2AP) and Direct Association with Ras and Rab Interactor 3 (RIN3). Rouka, E., Simister, P.C., Janning, M. et al. J Biol Chem (2015) 290:25275-25292. DOI 10.1074/jbc.M115.637207 · PubMed

Other PDB entries of the same protein (UniProt Q9Y5K6 (AlphaFold model), which also has an AlphaFold model), best resolution first:

3U23 1.11 Å, Atomic resolution crystal structure of the 2nd SH3 domain from human CD2AP (CMS) in…
4X1V 1.58 Å, Crystal structure of the 2nd SH3 domain from human CD2AP (CMS) in complex with a…
7DS6 1.69 Å, Crystal structure of actin capping protein in complex with twinflin-1/CD2AP CPI chimera…
2J6F 1.7 Å, N-terminal SH3 domain of cms (CD2AP human homolog) bound to cbl-B peptide
3AA6 1.9 Å, Crystal structure of Actin capping protein in complex with the Cp-binding motif derived…
7DS8 1.95 Å, Crystal structure of actin capping protein in complex with twinflin-1/CD2AP CPI chimera…
3LK4 1.99 Å, Crystal structure of CapZ bound to the uncapping motif from CD2AP
2J6O 2.23 Å, Atypical polyproline recognition by the cms N-terminal SH3 domain. CMS:CD2 heterotrimer
2J6K 2.77 Å, N-terminal SH3 domain of cms (CD2AP human homolog)
2J7I 2.9 Å, Atypical polyproline recognition by the cms N-terminal SH3 domain. CMS:CD2 heterodimer
2FEI Solution structure of the second SH3 domain of Human CMS protein

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