4XZ1: ZAP-70-tSH2:Compound-B adduct

ZAP-70-tSH2:Compound-B adduct. Determined by X-ray diffraction at 2.8 Å resolution. Released 29 Jul 2015.

Method: X-ray diffraction
Resolution: 2.8 Å
Organism: Homo sapiens
Chains: 2
Atoms: 2,195
Mol. weight: 32.45 kDa
Ligands: 4N6
Released: 29 Jul 2015

Explore 4XZ1 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4XZ1 contains 13 α-helices and 18 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: 11 helices, 18 β-strands

Element	Residues	Length	Sheet
β-strand	11	1	1
β-strand	13	1	2
α-helix	17-26	10
β-strand	33-38	6	1
β-strand	46-52	7	1
β-strand	55-63	9	1
β-strand	69-71	3	1
β-strand	77	1	1
α-helix	80-87	8
β-strand	92	1	3
β-strand	94	1	3
β-strand	100-101	2	1
α-helix	103-105	3
α-helix	110	1
β-strand	111	1	2
α-helix	112-113	2
α-helix	114-131	18
α-helix	135-144	10
α-helix	149-155	7
α-helix	158-160	3
β-strand	164	1	4
α-helix	170-178	9
β-strand	187-191	5	4
β-strand	197-204	8	4
β-strand	207-216	10	4
β-strand	220-222	3	4
β-strand	228-229	2	4
α-helix	232-241	10
β-strand	253	1	4

Chain B: 2 helices, 0 β-strands

Element	Residues	Length	Sheet
α-helix	304-307	4
α-helix	313-314	2

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Tyrosine-protein kinase ZAP-70	A	protein	262	Homo sapiens	P43403 (AlphaFold model)
doubly phosphorylated ITAM peptide	B	protein	21	Homo sapiens	P20963 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4XZ1_1 Tyrosine-protein kinase ZAP-70 (chains A)
GPHMPDPAAHLPFFYGSISRAEAEEHLKLAGMADGLFLLRQCLRSLGGYVLSLVHDVRFH
HFPIERQLNGTYAIAGGKAHCGPAELCEFYSRDPDGLPCNLRKPCNRPSGLEPQPGVFDS
LRDAMVRDYVRQTWKLEGEALEQAIISQAPQVEKLIATTAHERMPWYHSSLTREEAERKL
YSGAQTDGKFLLRPRKEQGTYALSLIYGKTVYHYLISQDKAGKYCIPEGTKFDTLWQLVE
YLKLKADGLIYCLKEACPNSSA

Sequence of entity 2 (B), FASTA

>4XZ1_2 doubly phosphorylated ITAM peptide (chains B)
CGNQLYNELNLGRREEYDVLD

Ligands and cofactors

ID	Name	Formula	Copies
4N6	2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol	C8 H7 Cl N4 O4	1

Primary citation

Modification by covalent reaction or oxidation of cysteine residues in the tandem-SH2 domains of ZAP-70 and Syk can block phosphopeptide binding. Visperas, P.R., Winger, J.A., Horton, T.M. et al. Biochem J (2015) 465:149-161. DOI 10.1042/BJ20140793 · PubMed

Other PDB entries of the same protein (UniProt P43403 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7SIY 1.48 Å, cCBL TKB domain in complex with pZAP70 peptide
2OQ1 1.9 Å, Tandem SH2 domains of ZAP-70 with 19-mer zeta1 peptide
2Y1N 2.0 Å, Structure of c-Cbl-ZAP-70 peptide complex
4XZ0 2.0 Å, ZAP-70-tSH2:compound-A complex
2CBL 2.1 Å, N-terminal domain of cbl in complex with its binding site on zap-70
3ZNI 2.21 Å, Structure of phosphoTyr363-Cbl-b - UbcH5B-Ub - ZAP-70 peptide complex
1U59 2.3 Å, Crystal Structure of the ZAP-70 Kinase Domain in Complex with Staurosporine
5O76 2.47 Å, Structure of phosphoY371 c-CBL in complex with ZAP70-peptide and UbV.pCBL ubiquitin…
1M61 2.5 Å, Crystal structure of the apo SH2 domains of ZAP-70
2OZO 2.6 Å, Autoinhibited intact human ZAP-70
4A4C 2.7 Å, Structure of phosphoTyr371-c-Cbl-UbcH5B-ZAP-70 complex
4A4B 2.79 Å, Structure of modified phosphoTyr371-c-Cbl-UbcH5B-ZAP-70 complex

Browse structure collections

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