Research workbench

Structure-based design of a novel, osteoclast-selective, nonpeptide src SH2 inhibitor with in vivo anti-resorptive activity

Analyse Structure-based design of a novel, osteoclast-selective, nonpeptide src SH2… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1FBZ
Type: protein
Length: 208 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Proto-oncogene tyrosine-protein kinase lck
EC: 2.7.1.112
UniProt: P06239
Ligands: CC1

Structure

x-ray diffraction · 1 distinct chain · 17% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Proto-oncogene tyrosine-protein kinase lck (EC 2.7.1.112)	protein	104	17% helix, 23% strand	P06239

Ligands and binding sites

CC1 · {4-[2-acetylamino-2-(3-carbamoyl-2-cyclohexylmethoxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-5ylcarbamoyl)-ethyl]-2-phosphono-phenyl}-phosphonic acid · ligand · 2 copies · chains A, B

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

Compared structures

1FBZ · Structure-based design of a novel, osteoclast-selective, nonpeptide Src SH2 inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
P06239 · AlphaFold monomer V2.0 prediction for tyrosine-protein kinase lck (P06239) · a predicted model of the same protein · chain A against A, TM-score 0.95

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 1FBZ · PDBe 1FBZ · UniProt P06239

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.