Research workbench
Crystal structure of AKT1 (aa 144-480) with a bisubstrate
Analyse Crystal structure of AKT1 (aa 144-480) with a bisubstrate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6BUU
- Type
- protein
- Length
- 662 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rac-alpha SERINE/THREONINE-protein kinase; Gly-arg-pro-arg-thr-thr-zxw-phe-ala-glu
- EC
- 2.7.11.1
- UniProt
- P31749
- Ligands
- MN, SO4
- Pockets
- 9 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 35% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rac-alpha SERINE/THREONINE-protein kinase (EC 2.7.11.1) | protein | 323 | 35% helix, 16% strand | P31749 |
| B | Rac-alpha SERINE/THREONINE-protein kinase (EC 2.7.11.1) | protein | 319 | 35% helix, 16% strand | P31749 |
| F, G | Gly-arg-pro-arg-thr-thr-zxw-phe-ala-glu | protein | 10 | 0% helix, 20% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.75 | 0.96 | 17 | empty |
| 2 | 69 | 0.71 | 0.97 | 18 | empty |
| 3 | 324 | 0.57 | 0.76 | 51 | empty |
| 4 | 76 | 0.49 | 0.84 | 24 | MN |
| 5 | 72 | 0.46 | 0.82 | 18 | empty |
Interfaces
4 interfaces between chains.
- B–G · 1092 Ų buried · 22 hydrogen bonds · protein-protein
- A–F · 1056 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 232 Ų buried · 5 hydrogen bonds · protein-protein
- A–G · 15 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (phosphorylation, nonstandard).
Compared structures
- 6BUU · Crystal structure of AKT1 (aa 144-480) with a bisubstrate · the same entry in another collection · chain A against A, TM-score 1.00
- P31749 · AlphaFold monomer V2.0 prediction for rac-alpha SERINE/THREONINE- protein kinase (P31749) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P31749
- Elsewhere: RCSB PDB 6BUU · PDBe 6BUU · UniProt P31749
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