MolNFT v1 · #61066 · protein
Crystal structure of domain-swapped OSR1 kinase domain
3DAK · SERINE/THREONINE-protein kinase OSR1: “Crystal structure of domain-swapped OSR1 kinase domain”. X-ray diffraction, 2 ligands (ANP, MG), 12 pockets (best druggability 0.69). MolNFT v1 #61066 on GenesisL1: 3D structure, binding sites…
- PDB
- 3DAK
- Type
- protein
- Length
- 1,122 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase OSR1
- EC
- 2.7.11.1
- UniProt
- O95747
- Ligands
- ANP, MG
- Pockets
- 12 · best druggability 0.69
Structure
x-ray diffraction · 4 distinct chains · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase OSR1 (EC 2.7.11.1) | protein | 279 | 43% helix, 17% strand | O95747 |
| B | SERINE/THREONINE-protein kinase OSR1 (EC 2.7.11.1) | protein | 278 | 41% helix, 17% strand | O95747 |
| C | SERINE/THREONINE-protein kinase OSR1 (EC 2.7.11.1) | protein | 281 | 40% helix, 17% strand | O95747 |
| D | SERINE/THREONINE-protein kinase OSR1 (EC 2.7.11.1) | protein | 284 | 42% helix, 17% strand | O95747 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 4 copies · chains A, B, C, D
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 771 | 0.69 | 0.76 | 64 | empty |
| 2 | 475 | 0.68 | 0.79 | 58 | ANP, MG |
| 3 | 57 | 0.67 | 0.95 | 17 | empty |
| 4 | 511 | 0.67 | 0.78 | 63 | ANP, MG |
| 5 | 284 | 0.66 | 0.82 | 22 | empty |
Interfaces
3 interfaces between chains.
- A–D · 2115 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 2062 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 677 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3DAK · Crystal Structure of Domain-Swapped OSR1 kinase domain · the same entry in another collection · chain D against D, TM-score 1.00
- O95747 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase OSR1 (O95747) · a predicted model of the same protein · chain B 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 O95747
- Elsewhere: RCSB PDB 3DAK · PDBe 3DAK · UniProt O95747
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.