Research workbench
Crystal structure of the ATP binding domain of prrb from mycobacterium tuberculosis
Analyse Crystal structure of the ATP binding domain of prrb from mycobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1YS3
- Type
- protein
- Length
- 411 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sensor-type histidine kinase prrb
- EC
- 2.7.3.-
- UniProt
- P0A5Z8
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 36% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sensor-type histidine kinase prrb (EC 2.7.3.-) | protein | 137 | 36% helix, 33% strand | P0A5Z8 |
| B | Sensor-type histidine kinase prrb (EC 2.7.3.-) | protein | 138 | 35% helix, 33% strand | P0A5Z8 |
| C | Sensor-type histidine kinase prrb (EC 2.7.3.-) | protein | 136 | 36% helix, 32% strand | P0A5Z8 |
Ligands and binding sites
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 97 | 0.75 | 0.97 | 27 | TRS |
| 2 | 104 | 0.74 | 0.95 | 23 | TRS |
| 3 | 463 | 0.58 | 0.74 | 49 | empty |
| 4 | 61 | 0.56 | 0.89 | 20 | empty |
Interfaces
3 interfaces between chains.
- A–B · 661 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 624 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 98 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1YS3 · Crystal Structure of the ATP binding domain of PrrB from Mycobacterium Tuberculosis · the same entry in another collection · chain A against A, 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 P0A5Z8
- Elsewhere: RCSB PDB 1YS3 · PDBe 1YS3 · UniProt P0A5Z8
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