MolNFT v1 · #145917 · protein
Crystal structure of tyrosine-protein kinase receptor in complex with 5-(4-FLUOROPHENYL)THIENO[2,3-D]PYRIMIDIN-4(3H)-one inhibitor
6D1Z · High affinity nerve growth factor receptor: “Crystal structure of tyrosine-protein kinase receptor in complex with…”. X-ray diffraction, 2 ligands (FQD, FQM), 4 pockets (best druggability 0.71). MolNFT v1 #145917 on GenesisL1: 3D…
- PDB
- 6D1Z
- Type
- protein
- Length
- 290 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- High affinity nerve growth factor receptor
- EC
- 2.7.10.1
- UniProt
- P04629
- Ligands
- FQD, FQM
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | High affinity nerve growth factor receptor (EC 2.7.10.1) | protein | 290 | 44% helix, 17% strand | P04629 |
Ligands and binding sites
- FQD · 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one · ligand · chains A
- FQM · 5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide · ligand · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 363 | 0.71 | 0.83 | 41 | FQM |
| 2 | 141 | 0.56 | 0.82 | 24 | GOL |
| 3 | 126 | 0.40 | 0.75 | 24 | empty |
| 4 | 57 | 0.31 | 0.76 | 14 | empty |
Compared structures
- 6D1Z · Crystal structure of Tyrosine-protein kinase receptor in complex with… · the same entry in another collection · 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 P04629
- Elsewhere: RCSB PDB 6D1Z · PDBe 6D1Z · UniProt P04629
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.