MolNFT v1 · #25737 · protein
P4 protein from bacteriophage PHI12 in complex with ADP and mn
1W47 · NTPase P4: “P4 protein from bacteriophage PHI12 in complex with ADP and mn”. X-ray diffraction, 2 ligands (ADP, MN), 12 pockets (best druggability 0.78). MolNFT v1 #25737 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1W47
- Type
- protein
- Length
- 864 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NTPase P4
- UniProt
- Q94M05
- Ligands
- ADP, MN
- Pockets
- 12 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | NTPase P4 | protein | 288 | 30% helix, 32% strand | Q94M05 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 3 copies · chains A, B, C
- MN · Manganese (II) ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 708 | 0.78 | 0.82 | 65 | empty |
| 2 | 803 | 0.77 | 0.81 | 78 | empty |
| 3 | 224 | 0.70 | 0.87 | 34 | ADP, MN |
| 4 | 204 | 0.70 | 0.87 | 32 | ADP, MN |
| 5 | 403 | 0.62 | 0.77 | 51 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1835 Ų buried · 30 hydrogen bonds · protein-protein
- B–C · 1824 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 1W47 · P4 protein from Bacteriophage PHI12 in complex with ADP and MN · 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 Q94M05
- Elsewhere: RCSB PDB 1W47 · PDBe 1W47 · UniProt Q94M05
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