GL1X · GenesisL1 explorer

MolNFT v1 · #131926 · protein

TGF-beta receptor type 1 kinase domain (T204D) in complex with N-{4- [3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-PYRROLO[3,2- C]PYRIDIN-2-YL]PYRIDIN-2-YL}ACETAMIDE

5QIK · TGF-beta receptor type-1: “TGF-beta receptor type 1 kinase domain (T204D) in complex with N-{4…”. X-ray diffraction, 1 ligand (J2M), 3 pockets (best druggability 0.75). MolNFT v1 #131926 on GenesisL1: 3D structure, binding sites and…

PDB
5QIK
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
J2M
Pockets
3 · best druggability 0.75

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ATGF-beta receptor type-1 (EC 2.7.11.30)protein30339% helix, 21% strandP36897

Ligands and binding sites

  • J2M · N-{4-[3-(6-fluoropyridin-3-yl)-4-oxo-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl]pyridin-2-yl}acetamide · ligand · chains A
  • GOL · Glycerol · additive · 2 copies · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1740.750.9820empty
22830.710.8534J2M
3500.260.7419empty

Compared structures

  • 5QIK · TGF-BETA RECEPTOR TYPE 1 KINASE DOMAIN (T204D) IN COMPLEX WITH… · 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

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