MolNFT v1 · #143039 · protein
Crystal structure of PPK2 class III in complex with guanosine 5- tetraphosphate
6ANH · POLYPHOSPHATE:AMP phosphotransferase: “Crystal structure of PPK2 class III in complex with guanosine 5- tetraphosphate”. X-ray diffraction, 1 ligand (BKP), 3 pockets (best druggability 0.60). MolNFT v1 #143039 on GenesisL1: 3D…
- PDB
- 6ANH
- Type
- protein
- Length
- 300 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- POLYPHOSPHATE:AMP phosphotransferase
- EC
- 2.7.4.-
- UniProt
- Q11YW6
- Ligands
- BKP
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 56% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | POLYPHOSPHATE:AMP phosphotransferase (EC 2.7.4.-) | protein | 300 | 56% helix, 11% strand | Q11YW6 |
Ligands and binding sites
- BKP · 5'-O-[(S)-hydroxy{[(s)-hydroxy{[(r)-hydroxy(phosphonooxy) phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.60 | 0.92 | 16 | empty |
| 2 | 321 | 0.59 | 0.77 | 49 | BKP |
| 3 | 54 | 0.33 | 0.77 | 12 | empty |
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 6ANH · Crystal structure of PPK2 class III in complex with Guanosine 5-tetraphosphate · 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 Q11YW6
- Elsewhere: RCSB PDB 6ANH · PDBe 6ANH · UniProt Q11YW6
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