MolNFT v1 · #191203 · protein
Crystal structure of wild-type C-met bound by compound 7.
8AN8 · Hepatocyte growth factor receptor: “Crystal structure of wild-type C-met bound by compound 7.”. X-ray diffraction, 2 ligands (N0U, SO4), 4 pockets (best druggability 0.68). MolNFT v1 #191203 on GenesisL1: 3D structure, binding sites…
- PDB
- 8AN8
- Type
- protein
- Length
- 507 residues
- Chains
- 2
- 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
- N0U, SO4
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hepatocyte growth factor receptor (EC 2.7.10.1) | protein | 244 | 41% helix, 16% strand | P08581 |
| B | Hepatocyte growth factor receptor (EC 2.7.10.1) | protein | 263 | 43% helix, 15% strand | P08581 |
Ligands and binding sites
- N0U · 3-[bis(fluoranyl)methyl]-~{N}-methyl-~{N}-[(1~{R})-8-methyl-5-(3-methyl-1~{H}-indazol-6-yl)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-2-carboxamide · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
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 | 249 | 0.68 | 0.83 | 29 | N0U |
| 2 | 289 | 0.65 | 0.81 | 33 | SO4, N0U |
| 3 | 120 | 0.50 | 0.80 | 21 | SO4 |
| 4 | 62 | 0.27 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 565 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 8AN8 · Crystal structure of wild-type c-MET bound by compound 7. · 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 8AN8 · PDBe 8AN8 · UniProt P08581
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