Structure of PDB 4xz1 Chain A Binding Site BS02

Receptor Information

>4xz1 Chain A (length=254) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DPAAHLPFFYGSISRAEAEEHLKLAGMADGLFLLRQCLRSLGGYVLSLVH
DVRFHHFPIERQLNGTYAIAGGKAHCGPAELCEFYSRDPDGLPCNLRKPC
NRPSGLEPQPGVFDSLRDAMVRDYVRQTWKLEGEALEQAIISQAPQVEKL
IATTAHERMPWYHSSLTREEAERKLYSGAQTDGKFLLRPRKEQGTYALSL
IYGKTVYHYLISQDKAGKYCIPEGTKFDTLWQLVEYLKLKADGLIYCLKE
ACPN

Ligand information

Ligand ID

4N6

InChI

InChI=1S/C8H7ClN4O4/c9-4-3-5(10-1-2-14)8(13(15)16)7-6(4)11-17-12-7/h3,10,14H,1-2H2

InChIKey

NNUHMROEIBTAEX-UHFFFAOYSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.9.2	c1c(c(c2c(c1Cl)non2)[N+](=O)[O-])NCCO
CACTVS 3.385	OCCNc1cc(Cl)c2nonc2c1[N+]([O-])=O
ACDLabs 12.01	[O-][N+](=O)c2c1nonc1c(cc2NCCO)Cl

Formula

C8 H7 Cl N4 O4

Name

2-[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)amino]ethanol

PDB chain

4xz1 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4xz1 Modification by covalent reaction or oxidation of cysteine residues in the tandem-SH2 domains of ZAP-70 and Syk can block phosphopeptide binding.
Resolution	2.8 Å
Binding residue (original residue number in PDB)	N66 G67 T68 C78
Binding residue (residue number reindexed from 1)	N64 G65 T66 C76
Annotation score	1

Enzymatic activity

Enzyme Commision number

2.7.10.2: non-specific protein-tyrosine kinase.

Gene Ontology

	Molecular Function
GO:0004715	non-membrane spanning protein tyrosine kinase activity

View graph for
Molecular Function

External links

PDB	RCSB:4xz1, PDBe:4xz1, PDBj:4xz1
PDBsum	4xz1
PubMed	25287889
UniProt	P43403\|ZAP70_HUMAN Tyrosine-protein kinase ZAP-70 (Gene Name=ZAP70)

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