MolNFT v1 · #86522 · protein
Crystal structure of MAPK7 (ERK5) with inhibitor
4B99 · Mitogen-activated protein kinase 7: “Crystal structure of MAPK7 (ERK5) with inhibitor”. X-ray diffraction, 1 ligand (R4L), 4 pockets (best druggability 0.69). MolNFT v1 #86522 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4B99
- Type
- protein
- Length
- 335 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
- R4L
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 7 (EC 2.7.11.24) | protein | 335 | 39% helix, 13% strand | Q13164 |
Ligands and binding sites
- R4L · 11-cyclopentyl-2-[[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl-phenyl]amino]-5-methyl-pyrimido[4,5-b][1,4]benzodiazepin-6-one · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 386 | 0.69 | 0.81 | 39 | R4L |
| 2 | 240 | 0.61 | 0.80 | 30 | empty |
| 3 | 254 | 0.52 | 0.75 | 31 | empty |
| 4 | 62 | 0.33 | 0.76 | 20 | 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 4B99 · PDBe 4B99 · UniProt Q13164
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