MolNFT v2 · #15864 · protein
Crystal structure of N-terminal 40KD MutL/A100P mutant protein complex with ADPnP and one sodium
1NHJ · DNA mismatch repair protein mutL: “Crystal structure of N-terminal 40KD MutL/A100P mutant protein complex with ADPnP and one sodium”. X-ray diffraction at 2.3, 3 ligands (ANP, NA, MG), 3 pockets (best druggability 0.72). MolNFT v2…
- PDB
- 1NHJ
- Type
- protein
- Length
- 333 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.3
- Source
- Escherichia coli K12
- Molecule
- DNA mismatch repair protein mutL
- UniProt
- Q8XDN4
- Ligands
- ANP, NA, MG
- Pockets
- 3 · best druggability 0.72
Structure
x-ray diffraction · resolution 2.3 · 1 distinct chain · 35% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA mismatch repair protein mutL | protein | 333 | 35% helix, 26% strand | Q8XDN4 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- NA · Sodium ion · metal · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 280 | 0.72 | 0.86 | 39 | NA, MG, ANP |
| 2 | 216 | 0.55 | 0.78 | 46 | empty |
| 3 | 133 | 0.46 | 0.78 | 21 | empty |
Compared structures
- 1NHJ · Crystal structure of N-terminal 40KD MUTL/A100P mutant protein complex with adpnp and one… · 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 1NHJ · PDBe 1NHJ · UniProt Q8XDN4
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