MolNFT v1 · #164118 · protein
DNA mismatch repair proteins MLH1 and MLH3
6SNV · DNA mismatch repair protein MLH1: “DNA mismatch repair proteins MLH1 and MLH3”. X-ray diffraction, 1 ligand (ZN), 7 pockets (best druggability 0.58). MolNFT v1 #164118 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6SNV
- Type
- protein
- Length
- 964 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA mismatch repair protein MLH1; DNA mismatch repair protein MLH3
- UniProt
- P38920, Q12083
- Ligands
- ZN
- Pockets
- 7 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | DNA mismatch repair protein MLH1 | protein | 260 | 50% helix, 15% strand | P38920 |
| B, E | DNA mismatch repair protein MLH3 | protein | 222 | 44% helix, 18% strand | Q12083 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 323 | 0.58 | 0.76 | 49 | empty |
| 2 | 221 | 0.48 | 0.75 | 38 | empty |
| 3 | 88 | 0.41 | 0.78 | 17 | empty |
| 4 | 73 | 0.39 | 0.78 | 17 | empty |
| 5 | 70 | 0.38 | 0.79 | 14 | empty |
Interfaces
3 interfaces between chains.
- D–E · 1017 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 970 Ų buried · 9 hydrogen bonds · protein-protein
- B–E · 184 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6SNV · DNA mismatch repair proteins MLH1 and MLH3 · the same entry in another collection · chain A against A, TM-score 1.00
- Q12083 · AlphaFold monomer V2.0 prediction for DNA mismatch repair protein MLH3 (Q12083) · a predicted model of the same protein · chain B against A, TM-score 0.95
- P38920 · AlphaFold monomer V2.0 prediction for DNA mismatch repair protein MLH1 (P38920) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P38920
- Every structure of UniProt Q12083
- Elsewhere: RCSB PDB 6SNV · PDBe 6SNV · UniProt P38920 · UniProt Q12083
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