MolNFT v1 · #39120 · protein

Hck kinase in complex with lck targetted inhibitor pg-1009247

2HK5 · Tyrosine-protein kinase hck: “Hck kinase in complex with lck targetted inhibitor pg-1009247”. X-ray diffraction, 1 ligand (1BM), 2 pockets (best druggability 0.65). MolNFT v1 #39120 on GenesisL1: 3D structure, binding sites and…

PDB: 2HK5
Type: protein
Length: 269 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tyrosine-protein kinase hck
EC: 2.7.10.2
UniProt: P08631
Ligands: 1BM
Pockets: 2 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tyrosine-protein kinase hck (EC 2.7.10.2)	protein	269	39% helix, 19% strand	P08631

Ligands and binding sites

1BM · 3-{[2-(1H-benzimidazol-1-yl)-6-{[2-(diethylamino)ethyl]amino}pyrimidin-4-yl]amino}-4-methylphenol · ligand · chains A

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

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	365	0.65	0.80	35	1BM
2	78	0.37	0.77	16	empty

Compared structures

2HK5 · Hck Kinase in Complex with Lck targetted Inhibitor PG-1009247 · the same entry in another collection · chain A against A, TM-score 1.00
P08631 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase hck (P08631) · a predicted model of the same protein · chain A against A, TM-score 0.86

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 P08631
Elsewhere: RCSB PDB 2HK5 · PDBe 2HK5 · UniProt P08631

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