MolNFT v1 · #15855 · protein
Crystal structure of N-terminal 40KD mutl (LN40) complex with adpnp and one potassium
1NHI · DNA mismatch repair protein mutl: “Crystal structure of N-terminal 40KD mutl (LN40) complex with adpnp and one potassium”. X-ray diffraction, 3 ligands (ANP, MG, K), 3 pockets (best druggability 0.73). MolNFT v1 #15855 on GenesisL1…
- PDB
- 1NHI
- Type
- protein
- Length
- 333 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA mismatch repair protein mutl
- UniProt
- Q8XDN4
- Ligands
- ANP, MG, K
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA mismatch repair protein mutl | protein | 333 | 37% helix, 26% strand | Q8XDN4 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- MG · Magnesium ion · metal · chains A
- K · Potassium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 273 | 0.73 | 0.87 | 37 | MG, ANP |
| 2 | 200 | 0.54 | 0.78 | 39 | EDO |
| 3 | 127 | 0.47 | 0.79 | 23 | empty |
Compared structures
- 1NHI · Crystal structure of N-terminal 40KD MutL (LN40) complex with ADPnP and one potassium · the same entry in another collection · chain A against A, TM-score 1.00
- Q8XDN4 · AlphaFold monomer V2.0 prediction for DNA mismatch repair protein mutl (Q8XDN4) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q8XDN4
- Elsewhere: RCSB PDB 1NHI · PDBe 1NHI · UniProt Q8XDN4
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