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TGF-beta receptor type 1 kinase domain (T204D,I211V,Y249F, S280T, Y282F,S287N,A350C,L352F) in complex with 3-amino-6- [4-(2- HYDROXYETHYL)PHENYL]-N-[4-(morpholin-4-YL)PYRIDIN-3-YL]PYRAZINE-2- carboxamide

Analyse TGF-beta receptor type 1 kinase domain (T204D,I211V,Y249F, S280T… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5E90
Type: protein
Length: 303 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: 5L4
Pockets: 2 · best druggability 0.76

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	303	39% helix, 21% strand	P36897

Ligands and binding sites

5L4 · 3-amino-6-[4-(2-hydroxyethyl)phenyl]-N-[4-(morpholin-4-yl)pyridin-3-yl]pyrazine-2-carboxamide · 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	77	0.76	0.99	21	empty
2	232	0.67	0.84	31	5L4

Compared structures

5E90 · TGF-beta receptor type 1 kinase domain (T204D,I211V,Y249F, S280T,Y282F,S287N,A350C,L352F)… · 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 0.99

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 5E90 · PDBe 5E90 · UniProt P36897

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