UniProt Q12931
Heat shock protein 75 kDa, mitochondrial (Q12931)
Heat shock protein 75 kDa, mitochondrial (UniProt Q12931), EC 1.3.5.1: 39 experimental structures and 1 predicted model on GenesisL1, 20 ligands bound, 185 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- Q12931
- Protein
- Heat shock protein 75 kDa, mitochondrial
- EC
- 1.3.5.1
- Experimental structures
- 39
- Predicted models
- 1
- Ligands
- 20
- Pockets
- 185 · 17 records with a druggable one
Structures
40 records of Q12931 in the MolNFT archive: 39 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4Z1F | Crystal structure of human Trap1 with PU-H71 | x-ray diffraction | A | — | — |
| 4Z1F | Crystal structure of human TRAP1 with pu-H71 | x-ray diffraction | A | — | — |
| 4Z1G | Crystal structure of human Trap1 with BIIB-021 | x-ray diffraction | A | 94M | 6 (best 0.63) |
| 4Z1G | Crystal structure of human TRAP1 with biib-021 | x-ray diffraction | A | — | — |
| 4Z1H | Crystal structure of human Trap1 with SMTIN-P01 | x-ray diffraction | A | 4KP | 6 (best 0.62) |
| 4Z1H | Crystal structure of human TRAP1 with smtin-P01 | x-ray diffraction | A | — | — |
| 4Z1I | Crystal structure of human Trap1 with AMPPNP | x-ray diffraction | A, B, C, D | — | — |
| 4Z1I | Crystal structure of human TRAP1 with amppnp | x-ray diffraction | A, B, C, D | — | — |
| 5F3K | X-Ray Crystallographic Structure of hTrap1 N-terminal Domain-apo | x-ray diffraction | A, B | — | — |
| 5F3K | X-ray crystallographic structure of HTRAP1 N-terminal domain-apo | x-ray diffraction | A, B | — | — |
| 5F5R | TRAP1N-adpnp | x-ray diffraction | A, B | ANP, MG | — |
| 5F5R | TRAP1N-adpnp | x-ray diffraction | A, B | — | — |
| 5HPH | Structure of TRAP1 fragment | x-ray diffraction | A, B | ANP, PO4, MG, SO4 | 16 (best 0.78) |
| 5HPH | Structure of TRAP1 fragment | x-ray diffraction | A, B | — | — |
| 5Y3N | Structure of TRAP1 complexed with DN401 | x-ray diffraction | A | 8MF | 6 (best 0.67) |
| 5Y3N | Structure of TRAP1 complexed with DN401 | x-ray diffraction | A | 8MF | — |
| 5Y3O | Structure of TRAP1 complexed with DN320 | x-ray diffraction | A | 8M9 | 7 (best 0.67) |
| 5Y3O | Structure of TRAP1 complexed with DN320 | x-ray diffraction | A | 8M9 | — |
| 6XG6 | Full-length human mitochondrial Hsp90 (TRAP1) with ADP-BeF3 | electron microscopy | A, B | ADP, BEF, MG, K | 20 (best 0.80) |
| 6XG6 | Full-length human mitochondrial HSP90 (TRAP1) with ADP-BEF3 | electron microscopy | A, B | ADP, BEF, MG, K | — |
| 7C04 | Crystal structure of human Trap1 with DN203492 | x-ray diffraction | A | FEU | 3 (best 0.69) |
| 7C04 | Crystal structure of human TRAP1 with DN203492 | x-ray diffraction | A | FEU | — |
| 7C05 | Crystal structure of human Trap1 with DN203495 | x-ray diffraction | A | FE6 | 8 (best 0.71) |
| 7C05 | Crystal structure of human TRAP1 with DN203495 | x-ray diffraction | A | FE6 | — |
| 7C7B | Crystal structure of human TRAP1 with SJT009 | x-ray diffraction | A | FJX | 2 (best 0.70) |
| 7C7B | Crystal structure of human TRAP1 with SJT009 | x-ray diffraction | A | FJX | — |
| 7C7C | Crystal structure of human TRAP1 with SJT104 | x-ray diffraction | A | FK0 | — |
| 7KCK | Full-length human mitochondrial Hsp90 (TRAP1) with AMP-PNP | electron microscopy | A, B | MG, K, ANP | 17 (best 0.79) |
| 7KCK | Full-length human mitochondrial HSP90 (TRAP1) with AMP-pnp | electron microscopy | A, B | MG, K, ANP | — |
| 7KCL | Full-length human mitochondrial Hsp90 (TRAP1) in complex with SdhB in the presence of AMP-PNP | electron microscopy | A, B | ANP, MG, K | 16 (best 0.84) |
| 7KCL | Full-length human mitochondrial HSP90 (TRAP1) in complex with sdhb in the presence of AMP-pnp | electron microscopy | A, B | ANP, MG, K | — |
| 7KCM | Full-length human mitochondrial HSP90 (TRAP1) in complex with sdhb in the presence of AMP-pnp | electron microscopy | A, B | ANP, MG, K | — |
| 7KLU | Tetrameric human mitochondrial Hsp90 (TRAP1) in the presence of AMP-PNP | electron microscopy | A, B, D, C | ANP, MG, K | 20 (best 0.81) |
| 7KLU | Tetrameric human mitochondrial HSP90 (TRAP1) in the presence of AMP- pnp | electron microscopy | A, B, D, C | ANP, MG, K | — |
| 7KLV | Full-length human mitochondrial HSP90 (TRAP1) SPYCATCHER/SPYTAG-sdhb heterodimer in the presence of… | electron microscopy | A, B | ANP, MG, K | — |
| 7U8U | hTRAP1 with inhibitors | x-ray diffraction | A, B | UJY | 17 (best 0.74) |
| 7U8V | hTRAP1 with inhibitors | x-ray diffraction | A | UJS | 7 (best 0.72) |
| 7U8W | hTRAP1 with inhibitors | x-ray diffraction | A | KUC | 9 (best 0.72) |
| 7ULK | Human TRAP1 NM in complex with 42C | x-ray diffraction | A, B | 42C, CA | 14 (best 0.63) |
| Q12931 | AlphaFold monomer V2.0 prediction for heat shock protein 75 kda, mitochondrial (Q12931) | predicted | A | — | 11 (best 0.78) |
Ligands
- MG · Magnesium ion · in 12 records
- ANP · Phosphoaminophosphonic acid-adenylate ester · in 10 records
- K · Potassium ion · in 10 records
- 8M9 · 4-chloranyl-1-[(4-methoxy-3,5-dimethyl-pyridin-2-yl) methyl]pyrazolo[3,4-d]pyrimidin-6-amine · in 2 records
- 8MF · 1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine · in 2 records
- ADP · Adenosine-5'-diphosphate · in 2 records
- BEF · Beryllium trifluoride ion · in 2 records
- FE6 · 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine · in 2 records
- FEU · 4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl) phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine · in 2 records
- FJX · 2-azanyl-9-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-6-chloranyl-purin-8-ol · in 2 records
- 42C · N,N-dimethyl-7H-purin-6-amine · in 1 record
- 4KP · 8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]-9-[6-(triphenyl-lambda~5~-phosphanyl)hexyl]-9H-purin-6-amine · in 1 record
- 94M · 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl) methyl]-9H-purin-2-amine · in 1 record
- CA · Calcium ion · in 1 record
- FK0 · 2-azanyl-9-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-6-chloranyl-purin-8-ol · in 1 record
- KUC · [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-fluoro-2H-isoindol-2-yl)methanone · in 1 record
- PO4 · Phosphate ion · in 1 record
- SO4 · Sulfate ion · in 1 record
- UJS · (4-hydroxy-1,3-phenylene)bis[(2H-isoindol-2-yl)methanone] · in 1 record
- UJY · [2-hydroxy-5-(2H-isoindole-2-carbonyl)phenyl]{5-[3-(triphenyl-lambda~5~-phosphanyl)propoxy]-2H-isoindol-2-yl}methanone · in 1 record
Experiment against prediction
- 5HPH chain B against the predicted model Q12931: TM-score 0.99, RMSD 0.77 Å
- 5HPH chain B against the predicted model Q12931: TM-score 0.99, RMSD 0.77 Å
- 4Z1I chain D against the predicted model Q12931: TM-score 0.99, RMSD 0.88 Å
- 4Z1I chain D against the predicted model Q12931: TM-score 0.99, RMSD 0.88 Å
- 4Z1I chain A against the predicted model Q12931: TM-score 0.98, RMSD 1.00 Å
- 4Z1I chain A against the predicted model Q12931: TM-score 0.98, RMSD 1.00 Å
- 5HPH chain A against the predicted model Q12931: TM-score 0.98, RMSD 1.24 Å
- 5HPH chain A against the predicted model Q12931: TM-score 0.98, RMSD 1.24 Å
- 6XG6 chain B against the predicted model Q12931: TM-score 0.98, RMSD 1.36 Å
- 6XG6 chain B against the predicted model Q12931: TM-score 0.98, RMSD 1.36 Å
Elsewhere
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