MolNFT v1 · #25248 · protein

Crystal structure of a naphthyridine inhibitor of human TGF- beta type I receptor

1VJY · TGF-beta receptor type I: “Crystal structure of a naphthyridine inhibitor of human TGF- beta type I receptor”. X-ray diffraction, 1 ligand (460), 3 pockets (best druggability 0.69). MolNFT v1 #25248 on GenesisL1: 3D structure…

PDB: 1VJY
Type: protein
Length: 299 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: TGF-beta receptor type I
EC: 2.7.1.37
UniProt: P36897
Ligands: 460
Pockets: 3 · best druggability 0.69

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	TGF-beta receptor type I (EC 2.7.1.37)	protein	299	39% helix, 21% strand	P36897

Ligands and binding sites

460 · 2-[5-(6-methylpyridin-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]-1,5-naphthyridine · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	326	0.69	0.82	45	460
2	92	0.68	0.92	19	empty
3	65	0.34	0.76	20	empty

Compared structures

1VJY · Crystal Structure of a Naphthyridine Inhibitor of Human TGF-beta Type I Receptor · the same entry in another collection · chain A against A, TM-score 1.00
P36897 · AlphaFold monomer V2.0 prediction for TGF-beta receptor type-1 (P36897) · a predicted model of the same protein · 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 P36897
Elsewhere: RCSB PDB 1VJY · PDBe 1VJY · UniProt P36897

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