MolNFT v1 · #131928 · protein

TGF-beta receptor type 1 kinase domain (T204D) in complex with N-{4- [3-(5-methoxypyridin-2-yl)-1H-PYRROLO[3,2-B] pyridin-2-YL]PYRIDIN-2- YL}ACETAMIDE

5QIM · TGF-beta receptor type-1: “TGF-beta receptor type 1 kinase domain (T204D) in complex with N-{4…”. X-ray diffraction, 1 ligand (J2Y), 2 pockets (best druggability 0.76). MolNFT v1 #131928 on GenesisL1: 3D structure, binding sites and…

PDB: 5QIM
Type: protein
Length: 304 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: J2Y
Pockets: 2 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	TGF-beta receptor type-1 (EC 2.7.11.30)	protein	304	40% helix, 21% strand	P36897

Ligands and binding sites

J2Y · N-{4-[3-(5-methoxypyridin-2-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide · ligand · chains A
GOL · Glycerol · additive · 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	85	0.76	0.98	21	empty
2	336	0.68	0.82	42	J2Y

Compared structures

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 5QIM · PDBe 5QIM · UniProt P36897

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