MolNFT v1 · #49494 · protein
Crystal structure of C-terminal domain of human acyl-CoA thioesterase 7
2QQ2 · Cytosolic acyl coenzyme a thioester hydrolase: “Crystal structure of C-terminal domain of human acyl-CoA thioesterase 7”. X-ray diffraction, 15 pockets (best druggability 0.86). MolNFT v1 #49494 on GenesisL1: 3D structure, binding…
- PDB
- 2QQ2
- Type
- protein
- Length
- 1,829 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cytosolic acyl coenzyme a thioester hydrolase
- EC
- 3.1.2.2
- UniProt
- O00154
- Pockets
- 15 · best druggability 0.86
Structure
x-ray diffraction · 11 distinct chains · 30% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cytosolic acyl coenzyme a thioester hydrolase (EC 3.1.2.2) | protein | 156 | 30% helix, 38% strand | O00154 |
| B, K | Cytosolic acyl coenzyme a thioester hydrolase (EC 3.1.2.2) | protein | 156 | 31% helix, 38% strand | O00154 |
| C | Cytosolic acyl coenzyme a thioester hydrolase (EC 3.1.2.2) | protein | 157 | 30% helix, 38% strand | O00154 |
| D | Cytosolic acyl coenzyme a thioester hydrolase (EC 3.1.2.2) | protein | 153 | 29% helix, 39% strand | O00154 |
| E | Cytosolic acyl coenzyme a thioester hydrolase (EC 3.1.2.2) | protein | 150 | 30% helix, 41% strand | O00154 |
| F | Cytosolic acyl coenzyme a thioester hydrolase (EC 3.1.2.2) | protein | 149 | 30% helix, 40% strand | O00154 |
| G | Cytosolic acyl coenzyme a thioester hydrolase (EC 3.1.2.2) | protein | 148 | 30% helix, 42% strand | O00154 |
| H | Cytosolic acyl coenzyme a thioester hydrolase (EC 3.1.2.2) | protein | 153 | 31% helix, 39% strand | O00154 |
| I | Cytosolic acyl coenzyme a thioester hydrolase (EC 3.1.2.2) | protein | 154 | 30% helix, 39% strand | O00154 |
| J | Cytosolic acyl coenzyme a thioester hydrolase (EC 3.1.2.2) | protein | 143 | 31% helix, 42% strand | O00154 |
| L | Cytosolic acyl coenzyme a thioester hydrolase (EC 3.1.2.2) | protein | 154 | 31% helix, 38% strand | O00154 |
Pockets
15 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1148 | 0.86 | 0.87 | 158 | empty |
| 2 | 867 | 0.83 | 0.85 | 114 | empty |
| 3 | 671 | 0.83 | 0.87 | 100 | empty |
| 4 | 636 | 0.83 | 0.87 | 92 | empty |
| 5 | 634 | 0.82 | 0.87 | 95 | empty |
Interfaces
26 interfaces between chains.
- J–L · 1134 Ų buried · 20 hydrogen bonds · protein-protein
- C–K · 1098 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 1088 Ų buried · 19 hydrogen bonds · protein-protein
- H–I · 1088 Ų buried · 18 hydrogen bonds · protein-protein
- F–G · 1036 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 2QQ2 · Crystal structure of C-terminal domain of Human acyl-CoA thioesterase 7 · the same entry in another collection · chain L against L, TM-score 1.00
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 O00154
- Elsewhere: RCSB PDB 2QQ2 · PDBe 2QQ2 · UniProt O00154
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