MolNFT v1 · #139248 · protein
Crystal structure of the ATPase domain from bacterial mismatch repair endonuclease aquifex aeolicus mutl.
5X9Y · DNA mismatch repair protein mutl: “Crystal structure of the ATPase domain from bacterial mismatch repair endonuclease aquifex aeolicus mutl.”. X-ray diffraction, 10 pockets (best druggability 0.64). MolNFT v1 #139248 on GenesisL1…
- PDB
- 5X9Y
- Type
- protein
- Length
- 741 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA mismatch repair protein mutl
- UniProt
- O67518
- Pockets
- 10 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, A, B | DNA mismatch repair protein mutl | protein | 247 | 26% helix, 30% strand | O67518 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 375 | 0.64 | 0.78 | 51 | empty |
| 2 | 184 | 0.61 | 0.82 | 29 | empty |
| 3 | 142 | 0.61 | 0.84 | 20 | empty |
| 4 | 248 | 0.60 | 0.79 | 32 | PEG |
| 5 | 238 | 0.56 | 0.78 | 28 | empty |
Interfaces
3 interfaces between chains.
- C–B · 444 Ų buried · 2 hydrogen bonds · protein-protein
- C–A · 404 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 102 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5X9Y · Crystal structure of the ATPase domain from bacterial mismatch repair endonuclease… · the same entry in another collection · chain C against C, TM-score 1.00
- O67518 · AlphaFold monomer V2.0 prediction for DNA mismatch repair protein mutl (O67518) · a predicted model of the same protein · chain C 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 O67518
- Elsewhere: RCSB PDB 5X9Y · PDBe 5X9Y · UniProt O67518
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