MolNFT v1 · #143061 · protein
Crystal structure of human MST2 in complex with SAV1 sarah domain
6AO5 · SERINE/THREONINE-protein kinase 3: “Crystal structure of human MST2 in complex with SAV1 sarah domain”. X-ray diffraction, 2 ligands (ANP, MG), 3 pockets (best druggability 0.69). MolNFT v1 #143061 on GenesisL1: 3D structure…
- PDB
- 6AO5
- Type
- protein
- Length
- 407 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase 3; Protein salvador homolog 1
- EC
- 2.7.11.1
- UniProt
- Q13188, Q9H4B6
- Ligands
- ANP, MG
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 56% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase 3 (EC 2.7.11.1) | protein | 321 | 53% helix, 9% strand | Q13188 |
| B | Protein salvador homolog 1 | protein | 86 | 67% helix, 0% strand | Q9H4B6 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic 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
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 429 | 0.69 | 0.80 | 50 | ANP, MG |
| 2 | 119 | 0.46 | 0.78 | 22 | empty |
| 3 | 64 | 0.28 | 0.73 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1826 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 6AO5 · Crystal structure of human MST2 in complex with SAV1 SARAH domain · the same entry in another collection · chain A against A, TM-score 1.00
- Q9H4B6 · AlphaFold monomer V2.0 prediction for protein salvador homolog 1 (Q9H4B6) · a predicted model of the same protein · chain B against A, TM-score 0.97
- Q13188 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase 3 (Q13188) · a predicted model of the same protein · chain A against A, TM-score 0.81
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 Q13188
- Every structure of UniProt Q9H4B6
- Elsewhere: RCSB PDB 6AO5 · PDBe 6AO5 · UniProt Q13188 · UniProt Q9H4B6
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