Research workbench
C-met kinase in complex with nvp-BVU972
Analyse C-met kinase in complex with nvp-BVU972 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QTI
- Type
- protein
- Length
- 572 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
- 3QT, CL
- Pockets
- 9 · best druggability 0.64
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hepatocyte growth factor receptor (EC 2.7.10.1) | protein | 292 | 40% helix, 16% strand | P08581 |
| B | Hepatocyte growth factor receptor (EC 2.7.10.1) | protein | 280 | 41% helix, 17% strand | P08581 |
Ligands and binding sites
- 3QT · 6-{[6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]methyl}quinoline · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 273 | 0.64 | 0.81 | 38 | 3QT |
| 2 | 243 | 0.63 | 0.81 | 28 | 3QT |
| 3 | 252 | 0.60 | 0.80 | 39 | empty |
| 4 | 110 | 0.41 | 0.76 | 20 | empty |
| 5 | 94 | 0.39 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 525 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3QTI · c-Met Kinase in Complex with NVP-BVU972 · 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 3QTI · PDBe 3QTI · UniProt P08581
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