UniProt P20585
DNA mismatch repair protein Msh3 (P20585)
DNA mismatch repair protein Msh3 (UniProt P20585): 8 experimental structures and 1 predicted model on GenesisL1, 7 ligands bound, 123 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P20585
- Protein
- DNA mismatch repair protein Msh3
- Experimental structures
- 8
- Predicted models
- 1
- Ligands
- 7
- Pockets
- 123 · 9 records with a druggable one
Structures
9 records of P20585 in the MolNFT archive: 8 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 8OLX | MutSbeta bound to (CAG)2 DNA (canonical form) | electron microscopy | B | — | 15 (best 0.74) |
| 8OM5 | DNA-free open form of MutSbeta | electron microscopy | B | ADP, MG | 13 (best 0.73) |
| 8OMA | MutSbeta bound to 61bp homoduplex DNA | electron microscopy | B | ATP, MG | 10 (best 0.85) |
| 8OMO | DNA-unbound MutSbeta-ATP complex (bent clamp form) | electron microscopy | B | ATP, MG | 8 (best 0.71) |
| 8R7C | MutSbeta bound to compound CHDI-00915542 in the canonical DNA-mismatch bound form | x-ray diffraction | B, F | YKW, CL, SO4 | 17 (best 0.80) |
| 8R7E | MutSbeta bound to compound CHDI-00898647 in the canonical DNA-mismatch bound form | x-ray diffraction | B, F | CL, YKQ, SO4 | 18 (best 0.78) |
| 8R7V | MutSbeta bound to compound CHDI-00898647 in the canonical DNA-mismatch bound form | electron microscopy | B | YKQ, SO4 | 17 (best 0.79) |
| 8RZ7 | (CAG)2 DNA-bound MutSbeta in open form with kinked MSH2 clamp | electron microscopy | B | ADP, MG | 14 (best 0.80) |
| P20585 | AlphaFold monomer V2.0 prediction for DNA mismatch repair protein MSH3 (P20585) | predicted | A | — | 11 (best 0.77) |
Ligands
- MG · Magnesium ion · in 4 records
- SO4 · Sulfate ion · in 3 records
- ADP · Adenosine-5'-diphosphate · in 2 records
- ATP · Adenosine-5'-triphosphate · in 2 records
- CL · Chloride ion · in 2 records
- YKQ · ~{N}-[3-[[2-[[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide · in 2 records
- YKW · ~{N}-(4-chlorophenyl)-2-(4-ethylpiperazin-1-yl)pteridin-4-amine · in 1 record
Experiment against prediction
- 8R7E chain F against the predicted model P20585: TM-score 0.99, RMSD 0.85 Å
- 8R7E chain B against the predicted model P20585: TM-score 0.99, RMSD 0.92 Å
- 8R7C chain B against the predicted model P20585: TM-score 0.99, RMSD 0.95 Å
- 8R7C chain F against the predicted model P20585: TM-score 0.99, RMSD 1.02 Å
- 8OLX chain B against the predicted model P20585: TM-score 0.99, RMSD 1.06 Å
- 8R7V chain B against the predicted model P20585: TM-score 0.98, RMSD 1.34 Å
- 8RZ7 chain B against the predicted model P20585: TM-score 0.95, RMSD 2.42 Å
- 8OM5 chain B against the predicted model P20585: TM-score 0.92, RMSD 2.80 Å
- 8OMO chain B against the predicted model P20585: TM-score 0.90, RMSD 3.00 Å
- 8OMA chain B against the predicted model P20585: TM-score 0.89, RMSD 3.39 Å
Elsewhere
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