Research workbench
Structure of the genome packaging NTPase B204 from sulfolobus turreted icosahedral virus 2 in complex with ATP-gammas
Analyse Structure of the genome packaging NTPase B204 from sulfolobus turreted… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4KFT
- Type
- protein
- Length
- 790 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Genome packaging NTPase B204
- EC
- 3.-.-.-
- UniProt
- D5IEZ9
- Ligands
- AGS, MG, ZN, CL
- Pockets
- 12 · best druggability 0.74
Structure
x-ray diffraction · 4 distinct chains · 41% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Genome packaging NTPase B204 (EC 3.-.-.-) | protein | 195 | 39% helix, 24% strand | D5IEZ9 |
| B | Genome packaging NTPase B204 (EC 3.-.-.-) | protein | 197 | 40% helix, 24% strand | D5IEZ9 |
| C | Genome packaging NTPase B204 (EC 3.-.-.-) | protein | 204 | 42% helix, 23% strand | D5IEZ9 |
| D | Genome packaging NTPase B204 (EC 3.-.-.-) | protein | 194 | 41% helix, 23% strand | D5IEZ9 |
Ligands and binding sites
- AGS · Phosphothiophosphoric acid-adenylate ester · ligand · 6 copies · chains A, B, C, D
- MG · Magnesium ion · metal · 8 copies · chains A, B, C, D
- ZN · Zinc ion · metal · 2 copies · chains B, C
- CL · Chloride ion · ion · 2 copies · chains A, B
- FLC · Citrate anion · additive · 4 copies · chains B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 355 | 0.74 | 0.85 | 47 | AGS |
| 2 | 137 | 0.56 | 0.82 | 22 | empty |
| 3 | 83 | 0.49 | 0.82 | 21 | empty |
| 4 | 140 | 0.46 | 0.77 | 25 | AGS, MG |
| 5 | 208 | 0.44 | 0.73 | 35 | FLC, MG |
Interfaces
3 interfaces between chains.
- A–B · 520 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 490 Ų buried · 4 hydrogen bonds · protein-protein
- C–D · 426 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4KFT · Structure of the genome packaging NTPase B204 from Sulfolobus turreted icosahedral virus… · 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 D5IEZ9
- Elsewhere: RCSB PDB 4KFT · PDBe 4KFT · UniProt D5IEZ9
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