MolNFT v1 · #172917 · protein + DNA
Muts-mutl in clamp state
7AIB · DNA mismatch repair protein muts: “Muts-mutl in clamp state”. Electron microscopy, 1 ligand (ANP), 20 pockets (best druggability 0.80). MolNFT v1 #172917 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7AIB
- Type
- protein + DNA
- Length
- 1,651 residues
- Chains
- 5
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA mismatch repair protein muts; DNA mismatch repair protein mutl; DNA (30-mer)
- UniProt
- P23909, P23367
- Ligands
- ANP
- Pockets
- 20 · best druggability 0.80
Structure
electron microscopy · 5 distinct chains · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA mismatch repair protein muts | protein | 661 | 46% helix, 16% strand | P23909 |
| B | DNA mismatch repair protein muts | protein | 663 | 47% helix, 16% strand | P23909 |
| C | DNA mismatch repair protein mutl | protein | 267 | 37% helix, 26% strand | P23367 |
| D | DNA (30-mer) | dna | 30 | — | — |
| E | DNA (30-mer) | dna | 30 | — | — |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1180 | 0.80 | 0.82 | 95 | ANP |
| 2 | 536 | 0.72 | 0.81 | 53 | empty |
| 3 | 649 | 0.71 | 0.79 | 57 | ANP |
| 4 | 720 | 0.70 | 0.77 | 49 | empty |
| 5 | 835 | 0.68 | 0.75 | 77 | empty |
Interfaces
10 interfaces between chains.
- A–B · 3454 Ų buried · 21 hydrogen bonds · protein-protein
- D–E · 1371 Ų buried · 155 hydrogen bonds · nucleic-nucleic
- A–C · 820 Ų buried · 7 hydrogen bonds · protein-protein
- B–C · 435 Ų buried · 2 hydrogen bonds · protein-protein
- A–E · 300 Ų buried · 7 hydrogen bonds · protein-nucleic
Compared structures
- 7AIB · MutS-MutL in clamp state · the same entry in another collection · chain E against E, 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 C against A, TM-score 0.93
- P23909 · AlphaFold monomer V2.0 prediction for DNA mismatch repair protein muts (P23909) · a predicted model of the same protein · chain A against A, TM-score 0.79
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
- Every structure of UniProt P23367
- Elsewhere: RCSB PDB 7AIB · PDBe 7AIB · UniProt P23909 · UniProt P23367
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