MolNFT v1 · #148002 · protein
Structure of acinetobacter phage VB_ABAP_AS12 GP42 tailspike
6EU4 · Tail spike protein: “Structure of acinetobacter phage VB_ABAP_AS12 GP42 tailspike”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.87). MolNFT v1 #148002 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6EU4
- Type
- protein
- Length
- 1,761 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tail spike protein
- UniProt
- A0A218KRF6
- Ligands
- ZN
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 4% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Tail spike protein | protein | 587 | 4% helix, 46% strand | A0A218KRF6 |
Ligands and binding sites
- ZN · Zinc ion · metal · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 389 | 0.87 | 0.96 | 41 | empty |
| 2 | 294 | 0.83 | 0.95 | 37 | empty |
| 3 | 171 | 0.83 | 0.98 | 30 | empty |
| 4 | 759 | 0.81 | 0.85 | 117 | empty |
| 5 | 104 | 0.77 | 0.97 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–B · 5748 Ų buried · 113 hydrogen bonds · protein-protein
- B–C · 5740 Ų buried · 105 hydrogen bonds · protein-protein
- A–C · 5729 Ų buried · 111 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 30 modified (engineered).
Compared structures
- 6EU4 · Structure of Acinetobacter phage vb_AbaP_AS12 gp42 tailspike · 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 A0A218KRF6
- Elsewhere: RCSB PDB 6EU4 · PDBe 6EU4 · UniProt A0A218KRF6
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