5DF6: PTPN11 tandem SH2 domains

Crystal structure of PTPN11 tandem SH2 domains in complex with a TXNIP peptide. Determined by X-ray diffraction at 1.78 Å resolution. Released 23 Sept 2015.

Method: X-ray diffraction
Resolution: 1.78 Å
Organism: Homo sapiens
Chains: 3
Atoms: 1,928
Mol. weight: 31.76 kDa
Released: 23 Sept 2015

Explore 5DF6 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5DF6 contains 5 α-helices and 27 β-strands across 3 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: 4 helices, 24 β-strands

Element	Residues	Length	Sheet
β-strand	7	1	1
α-helix	13-23	11
β-strand	28-33	6	1
β-strand	38	1	2
β-strand	40	1	2
β-strand	41-47	7	1
β-strand	50-56	7	1
β-strand	57-58	2	3
β-strand	63-64	2	3
β-strand	71	1	3
α-helix	74-83	10
β-strand	89	1	4
β-strand	90	1	5
β-strand	95	1	4
β-strand	100-101	2	1
β-strand	113	1	6
α-helix	119-129	11
β-strand	134-139	6	6
β-strand	147-152	6	6
β-strand	167-172	6	6
β-strand	173-174	2	7
β-strand	179-180	2	7
β-strand	187	1	7
α-helix	190-199	10
β-strand	202-203	2	8
β-strand	204	1	9
β-strand	209-210	2	8
β-strand	214-215	2	6

Chain B: 0 helices, 2 β-strands

Element	Residues	Length	Sheet
β-strand	378	1	1
β-strand	381	1	5

Chain C: 1 helix, 1 β-strand

Element	Residues	Length	Sheet
α-helix	374-380	7
β-strand	381	1	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Tyrosine-protein phosphatase non-receptor type 11	A	protein	255	Homo sapiens	Q06124 (AlphaFold model)
txnip	B, C	protein	13	Homo sapiens	Q9H3M7 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5DF6_1 Tyrosine-protein phosphatase non-receptor type 11 (chains A)
GSSHHHHHHSSGRRASVENLYFQGSGRAMTSRRWFHPNITGVEAENLLLTRGVDGSFLAR
PSKSNPGDFTLSVRRNGAVTHIKIQNTGDYYDLYGGEKFATLAELVQYYMEHHGQLKEKN
GDVIELKYPLNCADPTSERWFHGHLSGKEAEKLLTEKGKHGSFLVRESQSHPGDFVLSVR
TGDDKGESNDGKSKVTHVMIRCQELKYDVGGGERFDSLTDLVEHYKKNPMVETLGTVLQL
KQPLNTTRINLINEF

Sequence of entity 2 (B, C), FASTA

>5DF6_2 txnip (chains B, C)
KFMPPPTYTEVDX

Primary citation

Structural basis for the regulatory role of the PPxY motifs in the thioredoxin-interacting protein TXNIP. Liu, Y., Lau, J., Li, W. et al. Biochem J (2016) 473:179-187. DOI 10.1042/BJ20150830 · 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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