MolNFT v1 · #66311 · protein

Structure of ALK5 + GW855857

3HMM · TGF-beta receptor type-1: “Structure of ALK5 + GW855857”. X-ray diffraction, 1 ligand (855), 2 pockets (best druggability 0.69). MolNFT v1 #66311 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3HMM
Type: protein
Length: 293 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: TGF-beta receptor type-1
EC: 2.7.11.30
UniProt: P36897
Ligands: 855
Pockets: 2 · 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-1 (EC 2.7.11.30)	protein	293	39% helix, 21% strand	P36897

Ligands and binding sites

855 · 2-(6-methylpyridin-2-yl)-N-pyridin-4-ylquinazolin-4-amine · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	272	0.69	0.84	35	855
2	90	0.56	0.85	18	empty

Compared structures

3HMM · Structure of Alk5 + GW855857 · 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 3HMM · PDBe 3HMM · UniProt P36897

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