MolNFT v1 · #59456 · protein

X-ray co-crystal structure aminobenzimidazole triazine 1 bound to lck

3BYM · Proto-oncogene tyrosine-protein kinase lck: “X-ray co-crystal structure aminobenzimidazole triazine 1 bound to lck”. X-ray diffraction, 2 ligands (AM0, SO4), 2 pockets (best druggability 0.63). MolNFT v1 #59456 on GenesisL1: 3D…

PDB: 3BYM
Type: protein
Length: 272 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: AM0, SO4
Pockets: 2 · best druggability 0.63

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Proto-oncogene tyrosine-protein kinase lck (EC 2.7.10.2)	protein	272	39% helix, 19% strand	P06239

Ligands and binding sites

AM0 · N-phenyl-1-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}-1H-benzimidazol-2-amine · 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

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	375	0.63	0.78	36	AM0
2	63	0.36	0.78	19	empty

Modifications

Observed in the structure: 1 modified (phosphorylation).

Compared structures

3BYM · X-ray co-crystal structure aminobenzimidazole triazine 1 bound to Lck · 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 3BYM · PDBe 3BYM · UniProt P06239

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