UniProt Q16611
Bcl-2 homologous antagonist/killer (Q16611)
Bcl-2 homologous antagonist/killer (UniProt Q16611): 63 experimental structures and 1 predicted model on GenesisL1, 15 ligands bound, 13 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- Q16611
- Protein
- Bcl-2 homologous antagonist/killer
- Experimental structures
- 63
- Predicted models
- 1
- Ligands
- 15
- Pockets
- 13 · 4 records with a druggable one
Structures
64 records of Q16611 in the MolNFT archive: 63 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1BXL | Structure of BCL-XL/BAK peptide complex, NMR, minimized average structure | solution nmr | B | — | — |
| 1BXL | Structure of BCL-XL/BAK peptide complex, NMR, minimized average structure | solution nmr | B | — | — |
| 2IMS | The X-ray Structure of a Bak Homodimer Reveals an Inhibitory Zinc Binding Site | x-ray diffraction | A | — | — |
| 2IMS | The X-ray structure of a bak homodimer reveals an inhibitory zinc binding site | x-ray diffraction | A | — | — |
| 2IMT | The X-ray Structure of a Bak Homodimer Reveals an Inhibitory Zinc Binding Site | x-ray diffraction | A | — | — |
| 2IMT | The X-ray structure of a bak homodimer reveals an inhibitory zinc binding site | x-ray diffraction | A | — | — |
| 2JCN | The crystal structure of BAK1 - a mitochondrial apoptosis regulator | x-ray diffraction | A | — | — |
| 2JCN | The crystal structure of BAK1 - a mitochondrial apoptosis regulator | x-ray diffraction | A | — | — |
| 2LP8 | SOLUTION STRUCTURE OF AN APOPTOSIS ACTIVATING PHOTOSWITCHABLE BAK PEPTIDE BOUND to BCL-XL | solution nmr | B | — | — |
| 2LP8 | Solution structure of an apoptosis activating photoswitchable bak peptide bound to BCL-xl | solution nmr | B | — | — |
| 2M5B | The NMR structure of the BID-BAK complex | solution nmr | A | — | — |
| 2M5B | The NMR structure of the bid-bak complex | solution nmr | A | — | — |
| 2XPX | Crystal structure of BHRF1:Bak BH3 complex | x-ray diffraction | B | — | — |
| 2XPX | Crystal structure of BHRF1:BAK BH3 complex | x-ray diffraction | B | — | — |
| 2YV6 | Crystal structure of human Bcl-2 family protein Bak | x-ray diffraction | A | — | — |
| 2YV6 | Crystal structure of human BCL-2 family protein bak | x-ray diffraction | A | — | — |
| 3I1H | Crystal structure of human BFL-1 in complex with BAK BH3 peptide | x-ray diffraction | B | — | — |
| 3I1H | Crystal structure of human bfl-1 in complex with bak BH3 peptide | x-ray diffraction | B | — | — |
| 3QBR | BakBH3 in complex with sjA | x-ray diffraction | B, Y | — | — |
| 3QBR | BAKBH3 in complex with sja | x-ray diffraction | B, Y | — | — |
| 4D2L | Vaccinia Virus F1L bound to Bak BH3 | x-ray diffraction | B | — | — |
| 4D2L | Vaccinia virus F1L bound to bak BH3 | x-ray diffraction | B | — | — |
| 4U2U | Bak domain swapped dimer induced by BidBH3 with CHAPS | x-ray diffraction | A, B | — | — |
| 4U2U | Bak domain swapped dimer induced by BIDBH3 with chaps | x-ray diffraction | A, B | — | — |
| 4U2V | Bak BH3-in-Groove dimer (GFP) | x-ray diffraction | B, D, C, A | — | — |
| 4U2V | Bak BH3-in-groove dimer (GFP) | x-ray diffraction | B, D, C, A | — | — |
| 4UF1 | Deerpox virus DPV022 in complex with Bak BH3 | x-ray diffraction | B | — | — |
| 4UF1 | Deerpox virus DPV022 in complex with bak BH3 | x-ray diffraction | B | — | — |
| 5AJK | Crystal structure of variola virus virulence factor F1L in complex with human bak BH3 domain | x-ray diffraction | B, D, F, H, J, L | — | — |
| 5FMI | Human Bak Q77L | x-ray diffraction | A | ZN | — |
| 5FMI | Human bak Q77L | x-ray diffraction | A | — | — |
| 5FMK | Bcl-xL with Bak BH3 complex | x-ray diffraction | B | — | — |
| 5FMK | BCL-xl with bak BH3 complex | x-ray diffraction | B | — | — |
| 5VWV | Bak core latch dimer in complex with bim-BH3 - cubic | x-ray diffraction | A | CL | — |
| 5VWW | Bak core latch dimer in complex with Bim-RT - Tetragonal | x-ray diffraction | A, B | BR | 3 (best 0.77) |
| 5VWW | Bak core latch dimer in complex with bim-rt - tetragonal | x-ray diffraction | A, B | BR | — |
| 5VWX | Bak core latch dimer in complex with Bim-h0-h3Glt | x-ray diffraction | A, C | — | — |
| 5VWX | Bak core latch dimer in complex with bim-H0-H3GLT | x-ray diffraction | A, C | — | — |
| 5VWY | Bak core latch dimer in complex with Bim-h3Pc-RT | x-ray diffraction | A | PO4 | — |
| 5VWY | Bak core latch dimer in complex with bim-H3PC-rt | x-ray diffraction | A | PO4 | — |
| 5VWZ | Bak in complex with Bim-h3Pc | x-ray diffraction | A, C | 1PG | — |
| 5VWZ | Bak in complex with bim-H3PC | x-ray diffraction | A, C | 1PG | — |
| 5VX0 | Bak in complex with bim-H3GLG | x-ray diffraction | A, C | MG | — |
| 5VX1 | BAK L100A | x-ray diffraction | A, B | — | — |
| 6ODH | BH3 domain swapped dimer of a BAK fragment | x-ray diffraction | A, B, C, D, E, F | SO4 | 3 (best 0.68) |
| 6ODH | BH3 domain swapped dimer of a bak fragment | x-ray diffraction | A, B, C, D, E, F | SO4 | — |
| 6UXM | Crystal structure of bak core domain BH3-groove-dimer in complex with E. COLI lipid | x-ray diffraction | A, B, C, D, E, F | PEE | — |
| 6UXN | Crystal structure of BAK core domain BH3-groove-dimer in complex with phosphatidylserine | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | 8SP, SO4 | — |
| 6UXN | Crystal structure of bak core domain BH3-groove-dimer in complex with phosphatidylserine | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | 8SP, SO4 | — |
| 6UXO | Crystal structure of bak core domain BH3-groove-dimer in complex with ddm | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L | SO4 | — |
| 6UXP | Crystal structure of bak core domain BH3-groove-dimer in complex with phosphatidylglycerol | x-ray diffraction | A, B, C, D, E, F, G, H | PG8 | — |
| 6UXQ | Crystal structure of bak core domain BH3-groove-dimer in complex with popc and C8E4 | x-ray diffraction | A, B, C, D | SO4, LBN | — |
| 6UXR | Crystal structure of BAK core domain BH3-groove-dimer in complex with LysoPC | x-ray diffraction | A, B | K6G | — |
| 6UXR | Crystal structure of bak core domain BH3-groove-dimer in complex with lysopc | x-ray diffraction | A, B | K6G | — |
| 7K02 | The crystal structure of a bak dimer activated by detergent | x-ray diffraction | A, B, C, D, E, F | — | — |
| 7LK4 | Crystal structure of bak L100A in complex with activating antibody fragments | x-ray diffraction | P, Q, R, S | — | — |
| 7M5A | Crystal structure of human bak in complex with W3W5_BID | x-ray diffraction | A | — | — |
| 7M5B | Crystal structure of human bak in complex with M3W5_BID | x-ray diffraction | A, C | CU | — |
| 7M5C | Crystal structure of human bak in complex with wt bak BH3 peptide | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T | CU, SO4 | — |
| 7OFM | NMR structure of the bak transmembrane helix in dpc micelles | solution nmr | A | — | — |
4 records more on the page itself.
Ligands
- SO4 · Sulfate ion · in 7 records
- K6G · [(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] hexadecanoate · in 3 records
- 1PG · 2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol · in 2 records
- 8SP · O-[(R)-{[(2R)-2,3-bis(octanoyloxy)propyl]oxy}(hydroxy) phosphoryl]-L-serine · in 2 records
- BR · Bromide ion · in 2 records
- CL · Chloride ion · in 2 records
- CU · Copper (II) ion · in 2 records
- PO4 · Phosphate ion · in 2 records
- ZN · Zinc ion · in 2 records
- LBN · 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine · in 1 record
- MG · Magnesium ion · in 1 record
- N8E · 3,6,9,12,15-pentaoxatricosan-1-ol · in 1 record
- NA · Sodium ion · in 1 record
- PEE · 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine · in 1 record
- PG8 · 1,2-dioctanoyl-sn-glycero-3-[phospho-rac-(1-glycerol) · in 1 record
Experiment against prediction
- 7M5B chain A against the predicted model Q16611: TM-score 0.97, RMSD 0.89 Å
- 7M5C chain I against the predicted model Q16611: TM-score 0.96, RMSD 1.05 Å
- 4U2V chain D against the predicted model P42212: TM-score 0.75, RMSD 1.22 Å
- 4U2V chain D against the predicted model P42212: TM-score 0.75, RMSD 1.22 Å
- 4U2V chain B against the predicted model P42212: TM-score 0.75, RMSD 1.20 Å
- 4U2V chain B against the predicted model P42212: TM-score 0.75, RMSD 1.20 Å
- 7M5C chain S against the predicted model Q16611: TM-score 0.96, RMSD 0.93 Å
- 7M5A chain A against the predicted model Q16611: TM-score 0.96, RMSD 1.27 Å
- 7M5C chain A against the predicted model Q16611: TM-score 0.96, RMSD 1.14 Å
- 7M5C chain C against the predicted model Q16611: TM-score 0.96, RMSD 1.13 Å
Elsewhere
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