MolNFT v1 · #151327 · protein
Crystal structure of compound 1 with ERK5
6HKM · Mitogen-activated protein kinase 7: “Crystal structure of compound 1 with ERK5”. X-ray diffraction, 1 ligand (G92), 4 pockets (best druggability 0.67). MolNFT v1 #151327 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6HKM
- Type
- protein
- Length
- 327 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 7
- EC
- 2.7.11.24
- UniProt
- Q13164
- Ligands
- G92
- Pockets
- 4 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 7 (EC 2.7.11.24) | protein | 327 | 47% helix, 9% strand | Q13164 |
Ligands and binding sites
- G92 · [4-(6,7-dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 383 | 0.67 | 0.80 | 43 | G92 |
| 2 | 62 | 0.41 | 0.80 | 17 | empty |
| 3 | 95 | 0.35 | 0.75 | 20 | empty |
| 4 | 63 | 0.29 | 0.73 | 11 | empty |
Compared structures
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 Q13164
- Elsewhere: RCSB PDB 6HKM · PDBe 6HKM · UniProt Q13164
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