Research workbench
Human ERK2 with ERK1/2 inhibitor, AZD0364.
Analyse Human ERK2 with ERK1/2 inhibitor, AZD0364. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6SLG
- Type
- protein
- Length
- 337 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 1; ERK-tide
- EC
- 2.7.11.24
- UniProt
- P28482
- Ligands
- LHZ, SO4
- Pockets
- 5 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 1 (EC 2.7.11.24) | protein | 332 | 41% helix, 15% strand | P28482 |
| B | ERK-tide | protein | 5 | 0% helix, 0% strand | — |
Ligands and binding sites
- LHZ · (6~{R})-7-[[3,4-bis(fluoranyl)phenyl]methyl]-6-(methoxymethyl)-2-[5-methyl-2-[(2-methylpyrazol-3-yl) amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 368 | 0.65 | 0.80 | 42 | LHZ |
| 2 | 73 | 0.44 | 0.81 | 18 | empty |
| 3 | 50 | 0.31 | 0.77 | 15 | empty |
| 4 | 55 | 0.31 | 0.76 | 13 | empty |
| 5 | 54 | 0.28 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 212 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6SLG · Human ERK2 with ERK1/2 inhibitor, AZD0364. · 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 P28482
- Elsewhere: RCSB PDB 6SLG · PDBe 6SLG · UniProt P28482
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