Research workbench
Crystal structure of muth-unmethylated DNA complex
Analyse Crystal structure of muth-unmethylated DNA complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2AOQ
- Type
- protein + DNA
- Length
- 244 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*GP*CP*AP*TP*GP*AP*TP*CP*AP*TP*GP*C)-3'; DNA mismatch repair protein muth
- UniProt
- P44688
- Ligands
- CA
- Pockets
- 5 · best druggability 0.53
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B, C | 5'-D(*GP*CP*AP*TP*GP*AP*TP*CP*AP*TP*GP*C)-3' | dna | 12 | — | — |
| A | DNA mismatch repair protein muth | protein | 220 | 34% helix, 21% strand | P44688 |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains C, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 145 | 0.53 | 0.80 | 27 | empty |
| 2 | 112 | 0.46 | 0.79 | 24 | empty |
| 3 | 132 | 0.44 | 0.77 | 22 | empty |
| 4 | 62 | 0.34 | 0.77 | 13 | empty |
| 5 | 78 | 0.30 | 0.74 | 14 | empty |
Interfaces
3 interfaces between chains.
- C–A · 1069 Ų buried · 22 hydrogen bonds · protein-nucleic
- B–A · 799 Ų buried · 19 hydrogen bonds · protein-nucleic
- B–C · 564 Ų buried · 49 hydrogen bonds · nucleic-nucleic
Compared structures
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 P44688
- Elsewhere: RCSB PDB 2AOQ · PDBe 2AOQ · UniProt P44688
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