MolNFT v1 · #66943 · protein
Crystal structure of C-met with triazolopyridazine inhibitor 13
3I5N · Hepatocyte growth factor receptor: “Crystal structure of C-met with triazolopyridazine inhibitor 13”. X-ray diffraction, 1 ligand (B2D), 2 pockets (best druggability 0.62). MolNFT v1 #66943 on GenesisL1: 3D structure, binding sites…
- PDB
- 3I5N
- Type
- protein
- Length
- 280 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hepatocyte growth factor receptor
- EC
- 2.7.10.1
- UniProt
- P08581
- Ligands
- B2D
- Pockets
- 2 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hepatocyte growth factor receptor (EC 2.7.10.1) | protein | 280 | 44% helix, 16% strand | P08581 |
Ligands and binding sites
- B2D · 7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 192 | 0.62 | 0.82 | 25 | B2D |
| 2 | 84 | 0.37 | 0.76 | 13 | empty |
Compared structures
- 3I5N · Crystal structure of c-Met with triazolopyridazine inhibitor 13 · 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 P08581
- Elsewhere: RCSB PDB 3I5N · PDBe 3I5N · UniProt P08581
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