MolNFT v1 · #145918 · protein
Crystal structure of tyrosine-protein kinase receptor in complex with 5-(4-FLUOROPHENYL)THIENO[2,3-D]PYRIMIDIN-4(3H)-one and 5-{[2,4- dichloro-5-(pyridin-2-YL)BENZENE-1-CARBONYL]AMINO}-N-(2-hydroxy-2- methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide inhibitors
6D20 · High affinity nerve growth factor receptor: “Crystal structure of tyrosine-protein kinase receptor in complex with…”. X-ray diffraction, 2 ligands (FQD, FQG), 3 pockets (best druggability 0.72). MolNFT v1 #145918 on GenesisL1: 3D…
- PDB
- 6D20
- Type
- protein
- Length
- 296 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, FQG
- Pockets
- 3 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | High affinity nerve growth factor receptor (EC 2.7.10.1) | protein | 296 | 43% helix, 18% strand | P04629 |
Ligands and binding sites
- FQD · 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one · ligand · chains A
- FQG · 5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide · ligand · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 403 | 0.72 | 0.82 | 42 | FQG |
| 2 | 145 | 0.56 | 0.81 | 23 | empty |
| 3 | 97 | 0.40 | 0.77 | 21 | empty |
Compared structures
- 6D20 · 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 6D20 · PDBe 6D20 · UniProt P04629
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