Research workbench
Crystal structure of escherichia COLI muts in complex with a 16 basepair oligo containing an A.A mismatch.
Analyse Crystal structure of escherichia COLI muts in complex with a 16 basepair oligo… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WTU
- Type
- protein + DNA
- Length
- 1,561 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA mismatch repair protein muts; DNA
- UniProt
- P23909
- Ligands
- ADP, CL
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 4 distinct chains · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA mismatch repair protein muts | protein | 791 | 44% helix, 18% strand | P23909 |
| B | DNA mismatch repair protein muts | protein | 738 | 45% helix, 14% strand | P23909 |
| E | DNA | dna | 16 | — | — |
| F | DNA | dna | 16 | — | — |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A, B
- CL · Chloride ion · ion · 3 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, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 910 | 0.79 | 0.81 | 83 | ADP |
| 2 | 925 | 0.77 | 0.80 | 87 | CL |
| 3 | 753 | 0.76 | 0.81 | 73 | empty |
| 4 | 314 | 0.71 | 0.85 | 35 | empty |
| 5 | 335 | 0.66 | 0.81 | 31 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2920 Ų buried · 29 hydrogen bonds · protein-protein
- E–F · 733 Ų buried · 75 hydrogen bonds · nucleic-nucleic
- A–F · 653 Ų buried · 10 hydrogen bonds · protein-nucleic
- A–E · 628 Ų buried · 13 hydrogen bonds · protein-nucleic
- B–E · 292 Ų buried · 6 hydrogen bonds · protein-nucleic
Compared structures
- 2WTU · Crystal structure of Escherichia coli MutS in complex with a 16 basepair oligo containing… · 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 A against A, TM-score 0.99
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 2WTU · PDBe 2WTU · UniProt P23909
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