4JEG: Monobody CS1/SHP2 C-SH2 Domain Complex

Crystal Structure of Monobody CS1/SHP2 C-SH2 Domain Complex. Determined by X-ray diffraction at 2.3 Å resolution. Released 28 Aug 2013.

Method: X-ray diffraction
Resolution: 2.3 Å
Organism: Homo sapiens
Chains: 2
Atoms: 1,718
Mol. weight: 24.48 kDa
Released: 28 Aug 2013

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

Secondary structure: helices and β-sheets

4JEG contains 4 α-helices and 20 β-strands across 2 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: 3 helices, 10 β-strands

Element	Residues	Length	Sheet
β-strand	113	1	1
α-helix	119-128	10
β-strand	135-139	5	1
β-strand	147-154	8	1
α-helix	164-165	2
β-strand	166-172	7	1
β-strand	173-175	3	2
β-strand	178-180	3	2
β-strand	187	1	2
α-helix	190-199	10
β-strand	203-205	3	3
β-strand	208-210	3	3
β-strand	215	1	1

Chain B: 1 helix, 10 β-strands

Element	Residues	Length	Sheet
β-strand	9-14	6	4
β-strand	17-21	5	4
β-strand	31-38	8	5
β-strand	39	1	6
β-strand	42	1	6
β-strand	45-46	2	1
β-strand	47-52	6	5
β-strand	57-61	5	4
β-strand	68-76	9	5
α-helix	83-84	2
β-strand	88-93	6	5

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Tyrosine-protein phosphatase non-receptor type 11	A	protein	124	Homo sapiens	Q06124 (AlphaFold model)
Monobody CS1	B	protein	94	Homo sapiens	P02751 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4JEG_1 Tyrosine-protein phosphatase non-receptor type 11 (chains A)
ELKYPLNCADPTSERWFHGHLSGKEAEKLLTEKGKHGSFLVRESQSHPGDFVLSVRTGDD
KGESNDGKSKVTHVMIRCQELKYDVGGGERFDSLTDLVEHYKKNPMVETLGTVLQLKQPL
NKEK

Sequence of entity 2 (B), FASTA

>4JEG_2 Monobody CS1 (chains B)
VSSVPTKLEVVAATPTSLLISWDAPAVTVDYYVITYGETGYWPYYWQEFEVPGSKSTATI
SGLKPGVDYTITVYAGSYDSYYYYGSPISINYRT

Primary citation

Dissection of the BCR-ABL signaling network using highly specific monobody inhibitors to the SHP2 SH2 domains. Sha, F., Gencer, E.B., Georgeon, S. et al. Proc Natl Acad Sci U S A (2013) 110:14924-14929. DOI 10.1073/pnas.1303640110 · PubMed

Other PDB entries of the same protein (UniProt Q06124 (AlphaFold model), which also has an AlphaFold model), best resolution first:

9EIK 1.25 Å, Crystal structure of N-SH2 domain of SHP2 with T42A mutation bound to GAB1 tyrosine…
3ZM1 1.4 Å, Catalytic domain of human SHP2
4JMG 1.4 Å, Crystal structure of the synthetic protein in complex with pY peptide
7PPM 1.48 Å, SHP2 catalytic domain in complex with IRS1 (889-901) phosphopeptide (pSer-892, pTyr-896)
3ZM0 1.5 Å, Catalytic domain of human SHP2
3ZM2 1.5 Å, Catalytic domain of human SHP2
3ZM3 1.5 Å, Catalytic domain of human SHP2
7PPL 1.53 Å, SHP2 catalytic domain in complex with IRS1 (625-639) phosphopeptide (pTyr-632, pSer-636)
9EIC 1.58 Å, Crystal structure of unbound N-SH2 domain of SHP2 with T42A mutation
9EHD 1.59 Å, Crystal structure of N-SH2 domain of SHP2 bound to GAB1 tyrosine phosphorylated peptide…
3B7O 1.6 Å, Crystal structure of the human tyrosine phosphatase SHP2 (PTPN11) with an accessible…
4RDD 1.6 Å, Co-crystal structure of SHP2 in complex with a Cefsulodin derivative

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