MolNFT v1 · #53988 · protein

Structure of human anaplastic lymphoma kinase in complex with pha-E429

2XBA · ALK tyrosine kinase receptor: “Structure of human anaplastic lymphoma kinase in complex with pha-E429”. X-ray diffraction, 1 ligand (571), 1 pocket (best druggability 0.51). MolNFT v1 #53988 on GenesisL1: 3D structure, binding sites…

PDB: 2XBA
Type: protein
Length: 283 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ALK tyrosine kinase receptor
EC: 2.7.10.1
UniProt: Q9UM73
Ligands: 571
Pockets: 1 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ALK tyrosine kinase receptor (EC 2.7.10.1)	protein	283	43% helix, 16% strand	Q9UM73

Ligands and binding sites

571 · 5-[(2R)-2-hydroxy-2-phenylacetyl]-3-({[4-(4-methylpiperazin-1-yl)phenyl]carbonyl}amino)-1,6-dihydropyrrolo[3,4-c]pyrazol-5-ium · ligand · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	152	0.51	0.78	24	571

Compared structures

2XBA · Structure of Human Anaplastic Lymphoma Kinase in complex with PHA- E429 · the same entry in another collection · chain A against A, TM-score 1.00
Q9UM73 · AlphaFold monomer V2.0 prediction for ALK tyrosine kinase receptor (Q9UM73) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q9UM73
Elsewhere: RCSB PDB 2XBA · PDBe 2XBA · UniProt Q9UM73

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