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TGF-beta receptor type 2 kinase domain in complex with N- {4-[3-(6- methoxypyridin-3-yl)-1H-PYRROLO[3,2-B]PYRIDIN-2- YL]PYRIDIN-2- YL}ACETAMIDE
Analyse TGF-beta receptor type 2 kinase domain in complex with N- {4-[3-(6… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5QIN
- Type
- protein
- Length
- 295 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TGF-beta receptor type-2
- EC
- 2.7.11.30
- UniProt
- P37173
- Ligands
- J2V, MG
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | TGF-beta receptor type-2 (EC 2.7.11.30) | protein | 295 | 40% helix, 20% strand | P37173 |
Ligands and binding sites
- J2V · N-{4-[3-(6-methoxypyridin-3-yl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridin-2-yl}acetamide · ligand · chains A
- MG · Magnesium ion · metal · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 214 | 0.68 | 0.85 | 31 | J2V |
| 2 | 108 | 0.59 | 0.86 | 23 | empty |
| 3 | 98 | 0.40 | 0.76 | 24 | empty |
| 4 | 54 | 0.32 | 0.77 | 16 | empty |
| 5 | 66 | 0.30 | 0.74 | 12 | empty |
Compared structures
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 P37173
- Elsewhere: RCSB PDB 5QIN · PDBe 5QIN · UniProt P37173
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