MolNFT v1 · #184954 · protein + DNA
The structure of E. COLI mutl bound to a 3' resected DNA end
7P8V · DNA mismatch repair protein mutl: “The structure of E. COLI mutl bound to a 3' resected DNA end”. Electron microscopy, 2 ligands (ANP, MG), 9 pockets (best druggability 0.86). MolNFT v1 #184954 on GenesisL1: 3D structure, binding…
- PDB
- 7P8V
- Type
- protein + DNA
- Length
- 697 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA mismatch repair protein mutl; Template strand; Primer strand
- UniProt
- P23367
- Ligands
- ANP, MG
- Pockets
- 9 · best druggability 0.86
Structure
electron microscopy · 3 distinct chains · 34% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | DNA mismatch repair protein mutl | protein | 331 | 34% helix, 27% strand | P23367 |
| C | Template strand | dna | 22 | — | — |
| D | Primer strand | dna | 13 | — | — |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · 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
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 982 | 0.86 | 0.87 | 91 | empty |
| 2 | 294 | 0.74 | 0.87 | 41 | ANP, MG |
| 3 | 250 | 0.73 | 0.87 | 36 | MG, ANP |
| 4 | 256 | 0.64 | 0.82 | 48 | empty |
| 5 | 150 | 0.56 | 0.82 | 23 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2357 Ų buried · 22 hydrogen bonds · protein-protein
- A–C · 640 Ų buried · 12 hydrogen bonds · protein-nucleic
- C–D · 609 Ų buried · 51 hydrogen bonds · nucleic-nucleic
- B–C · 574 Ų buried · 8 hydrogen bonds · protein-nucleic
- B–D · 123 Ų buried · 1 hydrogen bond · protein-nucleic
Compared structures
- 7P8V · The structure of E. coli MutL bound to a 3' resected DNA end · the same entry in another collection · chain A against A, TM-score 1.00
- P23367 · AlphaFold monomer V2.0 prediction for DNA mismatch repair protein mutl (P23367) · a predicted model of the same protein · chain A 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 P23367
- Elsewhere: RCSB PDB 7P8V · PDBe 7P8V · UniProt P23367
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