MolNFT v1 · #161301 · protein
ERK2 mini-fragment binding
6QA4 · Mitogen-activated protein kinase 1: “ERK2 mini-fragment binding”. X-ray diffraction, 2 ligands (HRZ, SO4), 3 pockets (best druggability 0.64). MolNFT v1 #161301 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6QA4
- Type
- protein
- Length
- 337 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mitogen-activated protein kinase 1
- EC
- 2.7.11.24
- UniProt
- P28482
- Ligands
- HRZ, SO4
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Mitogen-activated protein kinase 1 (EC 2.7.11.24) | protein | 337 | 41% helix, 15% strand | P28482 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 364 | 0.64 | 0.79 | 38 | HRZ |
| 2 | 136 | 0.50 | 0.79 | 32 | empty |
| 3 | 71 | 0.35 | 0.76 | 16 | HRZ |
Modifications
Observed in the structure: 1 modified (artifact).
Compared structures
- 6QA4 · ERK2 mini-fragment binding · 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 6QA4 · PDBe 6QA4 · UniProt P28482
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