MolNFT v1 · #152031 · protein
Crystal structure of DNA-free E.COLI muts P839E dimer mutant
6I5F · DNA mismatch repair protein muts: “Crystal structure of DNA-free E.COLI muts P839E dimer mutant”. X-ray diffraction, 2 ligands (ADP, SO4), 17 pockets (best druggability 0.80). MolNFT v1 #152031 on GenesisL1: 3D structure, binding…
- PDB
- 6I5F
- Type
- protein
- Length
- 1,537 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA mismatch repair protein muts
- UniProt
- P23909
- Ligands
- ADP, SO4
- Pockets
- 17 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA mismatch repair protein muts | protein | 760 | 44% helix, 19% strand | P23909 |
| B | DNA mismatch repair protein muts | protein | 777 | 45% helix, 19% strand | P23909 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 9 copies · chains A, B
- GOL · Glycerol · additive · 13 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1050 | 0.80 | 0.81 | 124 | SO4 |
| 2 | 96 | 0.77 | 0.97 | 22 | empty |
| 3 | 920 | 0.77 | 0.79 | 85 | GOL, SO4 |
| 4 | 465 | 0.74 | 0.84 | 56 | SO4 |
| 5 | 136 | 0.67 | 0.88 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 3154 Ų buried · 32 hydrogen bonds · protein-protein
Compared structures
- 6I5F · Crystal structure of DNA-free E.coli MutS P839E dimer mutant · the same entry in another collection · chain A against A, 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 0.93
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 6I5F · PDBe 6I5F · UniProt P23909
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