MolNFT v1 · #146537 · protein
Crystal structure of trk-a in complex with the pan-trk kinase inhibitor, compound 13B.
6DKG · High affinity nerve growth factor receptor: “Crystal structure of trk-a in complex with the pan-trk kinase inhibitor, compound 13B.”. X-ray diffraction, 2 ligands (22L, GO7), 3 pockets (best druggability 0.71). MolNFT v1 #146537 on…
- PDB
- 6DKG
- Type
- protein
- Length
- 276 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
- 22L, GO7
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | High affinity nerve growth factor receptor (EC 2.7.10.1) | protein | 276 | 40% helix, 20% strand | P04629 |
Ligands and binding sites
- 22L · 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one · ligand · chains A
- GO7 · 2-{[(3R,4S)-3-fluoro-1-{[4-(trifluoromethoxy) phenyl]acetyl}piperidin-4-yl]oxy}-4-(2-hydroxy-2-methylpropoxy)benzamide · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 482 | 0.71 | 0.81 | 46 | GO7 |
| 2 | 102 | 0.41 | 0.77 | 22 | empty |
| 3 | 63 | 0.31 | 0.74 | 14 | empty |
Compared structures
- 6DKG · Crystal structure of Trk-A in complex with the Pan-Trk Kinase Inhibitor, compound 13b. · 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 6DKG · PDBe 6DKG · UniProt P04629
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