MolNFT v1 · #110507 · protein

Zap-70-TSH2:COMPOUND-a complex

4XZ0 · Tyrosine-protein kinase zap-70: “Zap-70-TSH2:COMPOUND-a complex”. X-ray diffraction, 2 ligands (4N5, SO4), 1 pocket (best druggability 0.44). MolNFT v1 #110507 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4XZ0
Type: protein
Length: 258 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tyrosine-protein kinase zap-70
EC: 2.7.10.2
UniProt: P43403
Ligands: 4N5, SO4
Pockets: 1 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein kinase zap-70 (EC 2.7.10.2)	protein	258	28% helix, 22% strand	P43403

Ligands and binding sites

4N5 · 1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1H-tetrazol-1-yl}phenyl)ethanone · ligand · chains A
SO4 · Sulfate ion · ion · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	88	0.44	0.80	21	SO4

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

4XZ0 · ZAP-70-tSH2:compound-A complex · the same entry in another collection · chain A against A, TM-score 1.00
P43403 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase zap-70 (P43403) · a predicted model of the same protein · chain A against A, TM-score 0.62

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P43403
Elsewhere: RCSB PDB 4XZ0 · PDBe 4XZ0 · UniProt P43403

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