MolNFT v1 · #187512 · protein
Structure of a functional construct of eukaryotic elongation factor 2 kinase in complex with calmodulin.
7SHQ · Eukaryotic elongation factor 2 KINASE,EUKARYOTIC elongation…: “Structure of a functional construct of eukaryotic elongation factor 2 kinase in complex with calmodulin.”. X-ray diffraction, 3 ligands (MG, CA, ZN), 8 pockets (best…
- PDB
- 7SHQ
- Type
- protein
- Length
- 637 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Eukaryotic elongation factor 2 KINASE,EUKARYOTIC elongation factor 2 kinase; Calmodulin-1
- EC
- 2.7.11.20
- UniProt
- O00418, P0DP23
- Ligands
- MG, CA, ZN
- Pockets
- 8 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Eukaryotic elongation factor 2 KINASE,EUKARYOTIC elongation factor 2 kinase (EC 2.7.11.20) | protein | 492 | 43% helix, 14% strand | O00418 |
| B | Calmodulin-1 | protein | 145 | 57% helix, 7% strand | P0DP23 |
Ligands and binding sites
- MG · Magnesium ion · metal · 5 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains B, A
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 507 | 0.71 | 0.81 | 45 | empty |
| 2 | 337 | 0.60 | 0.77 | 42 | MG |
| 3 | 174 | 0.54 | 0.79 | 32 | empty |
| 4 | 151 | 0.49 | 0.78 | 17 | empty |
| 5 | 130 | 0.45 | 0.77 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 2544 Ų buried · 31 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 7SHQ · Structure of a functional construct of eukaryotic elongation factor 2 kinase in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- O00418 · AlphaFold monomer V2.0 prediction for eukaryotic elongation factor 2 kinase (O00418) · a predicted model of the same protein · chain A against A, TM-score 0.97
- P0DP23 · AlphaFold monomer V2.0 prediction for calmodulin-1 (P0DP23) · a predicted model of the same protein · chain B against A, TM-score 0.45
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 O00418
- Every structure of UniProt P0DP23
- Elsewhere: RCSB PDB 7SHQ · PDBe 7SHQ · UniProt O00418 · UniProt P0DP23
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