MolNFT v1 · #84771 · protein
The structure of OST1 (D160A, S175D) kinase in complex with gold
3ZUU · SERINE/THREONINE-protein kinase SRK2E: “The structure of OST1 (D160A, S175D) kinase in complex with gold”. X-ray diffraction, 1 ligand (AU), 6 pockets (best druggability 0.74). MolNFT v1 #84771 on GenesisL1: 3D structure, binding…
- PDB
- 3ZUU
- Type
- protein
- Length
- 563 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase SRK2E
- EC
- 2.7.11.1
- UniProt
- Q940H6
- Ligands
- AU
- Pockets
- 6 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase SRK2E (EC 2.7.11.1) | protein | 281 | 38% helix, 16% strand | Q940H6 |
| B | SERINE/THREONINE-protein kinase SRK2E (EC 2.7.11.1) | protein | 282 | 38% helix, 16% strand | Q940H6 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1152 | 0.74 | 0.77 | 110 | empty |
| 2 | 63 | 0.49 | 0.84 | 20 | empty |
| 3 | 88 | 0.42 | 0.79 | 18 | EDO |
| 4 | 60 | 0.37 | 0.79 | 13 | empty |
| 5 | 74 | 0.32 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 803 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3ZUU · The structure of OST1 (D160A, S175D) kinase in complex with gold · the same entry in another collection · chain A against A, TM-score 1.00
- Q940H6 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase SRK2E (Q940H6) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q940H6
- Elsewhere: RCSB PDB 3ZUU · PDBe 3ZUU · UniProt Q940H6
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