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Crystal structure of near full-length hexameric mycobacterium tuberculosis proteasomal ATPase mpa in apo form
Analyse Crystal structure of near full-length hexameric mycobacterium tuberculosis… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5KZF
- Type
- protein
- Length
- 5,680 residues
- Chains
- 12
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proteasome-associated ATPase
- UniProt
- A5U4E1
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 12 distinct chains · 32% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proteasome-associated ATPase | protein | 480 | 31% helix, 23% strand | A5U4E1 |
| B | Proteasome-associated ATPase | protein | 475 | 33% helix, 23% strand | A5U4E1 |
| C | Proteasome-associated ATPase | protein | 472 | 33% helix, 21% strand | A5U4E1 |
| D | Proteasome-associated ATPase | protein | 460 | 33% helix, 22% strand | A5U4E1 |
| E | Proteasome-associated ATPase | protein | 461 | 32% helix, 22% strand | A5U4E1 |
| F | Proteasome-associated ATPase | protein | 460 | 31% helix, 23% strand | A5U4E1 |
| G | Proteasome-associated ATPase | protein | 461 | 31% helix, 22% strand | A5U4E1 |
| H | Proteasome-associated ATPase | protein | 478 | 33% helix, 23% strand | A5U4E1 |
| I | Proteasome-associated ATPase | protein | 478 | 35% helix, 22% strand | A5U4E1 |
| J | Proteasome-associated ATPase | protein | 484 | 31% helix, 23% strand | A5U4E1 |
| K | Proteasome-associated ATPase | protein | 498 | 32% helix, 23% strand | A5U4E1 |
| L | Proteasome-associated ATPase | protein | 473 | 31% helix, 22% strand | A5U4E1 |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1187 | 0.86 | 0.87 | 136 | empty |
| 2 | 961 | 0.85 | 0.86 | 105 | empty |
| 3 | 1026 | 0.84 | 0.85 | 110 | empty |
| 4 | 991 | 0.84 | 0.85 | 94 | empty |
| 5 | 734 | 0.84 | 0.87 | 89 | empty |
Interfaces
16 interfaces between chains.
- C–D · 2913 Ų buried · 39 hydrogen bonds · protein-protein
- D–E · 2880 Ų buried · 39 hydrogen bonds · protein-protein
- G–H · 2863 Ų buried · 33 hydrogen bonds · protein-protein
- B–C · 2852 Ų buried · 39 hydrogen bonds · protein-protein
- J–K · 2845 Ų buried · 40 hydrogen bonds · protein-protein
Compared structures
- 5KZF · Crystal structure of near full-length hexameric Mycobacterium tuberculosis proteasomal… · 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 A5U4E1
- Elsewhere: RCSB PDB 5KZF · PDBe 5KZF · UniProt A5U4E1
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