MolNFT v1 · #28917 · protein
Crystal structure of ATP binding domain of prrb from mycobacterium tuberculosis
1YSR · Sensor-type histidine kinase prrb: “Crystal structure of ATP binding domain of prrb from mycobacterium tuberculosis”. X-ray diffraction, 5 pockets (best druggability 0.74). MolNFT v1 #28917 on GenesisL1: 3D structure, binding sites…
- PDB
- 1YSR
- Type
- protein
- Length
- 410 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
- 5 · best druggability 0.74
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, 31% strand | P0A5Z8 |
| B | Sensor-type histidine kinase prrb (EC 2.7.3.-) | protein | 137 | 36% 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
- GOL · Glycerol · additive · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 90 | 0.74 | 0.96 | 26 | TRS |
| 2 | 95 | 0.72 | 0.95 | 26 | TRS |
| 3 | 53 | 0.57 | 0.91 | 18 | empty |
| 4 | 378 | 0.55 | 0.73 | 39 | empty |
| 5 | 65 | 0.32 | 0.75 | 12 | empty |
Interfaces
3 interfaces between chains.
- A–B · 615 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 603 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 105 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 1YSR · Crystal Structure of 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 1YSR · PDBe 1YSR · UniProt P0A5Z8
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