MolNFT v1 · #184561 · protein
The structure of muts bound to one molecule of ATP and one molecule of ADP
7OU4 · DNA mismatch repair protein muts: “The structure of muts bound to one molecule of ATP and one molecule of ADP”. Electron microscopy, 3 ligands (ATP, ADP, MG), 14 pockets (best druggability 0.84). MolNFT v1 #184561 on GenesisL1: 3D…
- PDB
- 7OU4
- Type
- protein
- Length
- 1,389 residues
- Chains
- 2
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA mismatch repair protein muts
- UniProt
- P23909
- Ligands
- ATP, ADP, MG
- Pockets
- 14 · best druggability 0.84
Structure
electron microscopy · 2 distinct chains · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA mismatch repair protein muts | protein | 704 | 47% helix, 18% strand | P23909 |
| B | DNA mismatch repair protein muts | protein | 685 | 48% helix, 16% strand | P23909 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A, B
- ADP · Adenosine-5'-diphosphate · ligand · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 796 | 0.84 | 0.87 | 112 | MG, ADP |
| 2 | 826 | 0.80 | 0.83 | 75 | empty |
| 3 | 384 | 0.80 | 0.89 | 58 | MG, ATP |
| 4 | 642 | 0.78 | 0.84 | 80 | empty |
| 5 | 568 | 0.75 | 0.82 | 62 | empty |
Interfaces
1 interface between chains.
- A–B · 3448 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 7OU4 · The structure of MutS bound to one molecule of ATP and one molecule of ADP · the same entry in another collection · chain B against B, TM-score 1.00
- P23909 · AlphaFold monomer V2.0 prediction for DNA mismatch repair protein muts (P23909) · a predicted model of the same protein · chain B 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 P23909
- Elsewhere: RCSB PDB 7OU4 · PDBe 7OU4 · UniProt P23909
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