Research workbench
Structure of the pantothenate kinase (coaa) from coxiella burnetii
Analyse Structure of the pantothenate kinase (coaa) from coxiella burnetii in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3TQC
- Type
- protein
- Length
- 608 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pantothenate kinase
- EC
- 2.7.1.33
- UniProt
- Q83EV9
- Ligands
- ADP
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pantothenate kinase (EC 2.7.1.33) | protein | 303 | 48% helix, 19% strand | Q83EV9 |
| B | Pantothenate kinase (EC 2.7.1.33) | protein | 305 | 47% helix, 19% strand | Q83EV9 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 308 | 0.83 | 0.93 | 42 | empty |
| 2 | 590 | 0.75 | 0.82 | 63 | ADP |
| 3 | 563 | 0.75 | 0.82 | 68 | ADP |
| 4 | 232 | 0.53 | 0.77 | 38 | empty |
| 5 | 180 | 0.50 | 0.77 | 35 | empty |
Interfaces
1 interface between chains.
- A–B · 2778 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
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 Q83EV9
- Elsewhere: RCSB PDB 3TQC · PDBe 3TQC · UniProt Q83EV9
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