Research workbench
Crystal structure of PHO85-PCL10-ATP-gamma-S complex
Analyse Crystal structure of PHO85-PCL10-ATP-gamma-S complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4KRC
- Type
- protein
- Length
- 477 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cyclin-dependent protein kinase PHO85; PHO85 cyclin-10
- EC
- 2.7.11.22
- UniProt
- P17157, P53124
- Ligands
- AGS, MG
- Pockets
- 10 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cyclin-dependent protein kinase PHO85 (EC 2.7.11.22) | protein | 297 | 38% helix, 18% strand | P17157 |
| B | PHO85 cyclin-10 | protein | 180 | 62% helix, 3% strand | P53124 |
Ligands and binding sites
- AGS · Phosphothiophosphoric acid-adenylate ester · ligand · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 290 | 0.74 | 0.87 | 36 | MG, AGS |
| 2 | 154 | 0.65 | 0.86 | 33 | empty |
| 3 | 85 | 0.44 | 0.80 | 20 | empty |
| 4 | 77 | 0.43 | 0.80 | 18 | empty |
| 5 | 100 | 0.41 | 0.77 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1302 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 4KRC · Crystal Structure of Pho85-Pcl10-ATP-gamma-S Complex · the same entry in another collection · chain A against A, TM-score 1.00
- P53124 · AlphaFold monomer V2.0 prediction for PHO85 cyclin-10 (P53124) · a predicted model of the same protein · chain B against A, TM-score 0.98
- P17157 · AlphaFold monomer V2.0 prediction for cyclin-dependent protein kinase PHO85 (P17157) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 P17157
- Every structure of UniProt P53124
- Elsewhere: RCSB PDB 4KRC · PDBe 4KRC · UniProt P17157 · UniProt P53124
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