Research workbench
Pantothenate kinase from mycobacterium tuberculosis (mtpank) in complex with ADP and phosphopantothenate
Analyse Pantothenate kinase from mycobacterium tuberculosis (mtpank) in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2ZSA
- Type
- protein
- Length
- 307 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pantothenate kinase
- EC
- 2.7.1.33
- UniProt
- P63810
- Ligands
- ADP, PAZ, NA, CL
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pantothenate kinase (EC 2.7.1.33) | protein | 307 | 45% helix, 19% strand | P63810 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- PAZ · N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy) butanoyl]-beta-alanine · ligand · chains A
- NA · Sodium ion · metal · 4 copies · chains A
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · additive · 11 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 600 | 0.76 | 0.82 | 48 | ADP, PAZ, GOL, NA |
| 2 | 65 | 0.59 | 0.90 | 15 | GOL |
| 3 | 94 | 0.43 | 0.79 | 21 | empty |
| 4 | 58 | 0.29 | 0.75 | 13 | empty |
| 5 | 67 | 0.28 | 0.73 | 16 | GOL |
Compared structures
- 2ZSA · Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with ADP and… · 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 P63810
- Elsewhere: RCSB PDB 2ZSA · PDBe 2ZSA · UniProt P63810
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