MolNFT v1 · #69311 · protein

Structure of human lck kinase with a small molecule inhibitor

3KMM · Proto-oncogene tyrosine-protein kinase lck: “Structure of human lck kinase with a small molecule inhibitor”. X-ray diffraction, 2 ligands (LHL, SO4), 1 pocket (best druggability 0.64). MolNFT v1 #69311 on GenesisL1: 3D structure…

PDB: 3KMM
Type: protein
Length: 271 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Proto-oncogene tyrosine-protein kinase lck
EC: 2.7.10.2
UniProt: P06239
Ligands: LHL, SO4
Pockets: 1 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Proto-oncogene tyrosine-protein kinase lck (EC 2.7.10.2)	protein	271	39% helix, 21% strand	P06239

Ligands and binding sites

LHL · 3-(2,6-dichlorophenyl)-7-({4-[2-(diethylamino)ethoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one · ligand · chains A
SO4 · Sulfate ion · ion · 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	396	0.64	0.78	38	LHL

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

3KMM · Structure of human LCK kinase with a small molecule inhibitor · the same entry in another collection · chain A against A, TM-score 1.00

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 P06239
Elsewhere: RCSB PDB 3KMM · PDBe 3KMM · UniProt P06239

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