MolNFT v1 · #38028 · protein
The crystal structure of the DNA/PANTOTHENATE metabolism flavoprotein from streptococcus pneumoniae
2GK4 · Conserved hypothetical protein: “The crystal structure of the DNA/PANTOTHENATE metabolism flavoprotein from streptococcus pneumoniae”. X-ray diffraction, 4 pockets (best druggability 0.78). MolNFT v1 #38028 on GenesisL1: 3D…
- PDB
- 2GK4
- Type
- protein
- Length
- 448 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Conserved hypothetical protein
- UniProt
- Q97QI1
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Conserved hypothetical protein | protein | 229 | 34% helix, 31% strand | Q97QI1 |
| B | Conserved hypothetical protein | protein | 219 | 35% helix, 32% strand | Q97QI1 |
Ligands and binding sites
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 907 | 0.78 | 0.80 | 54 | GOL |
| 2 | 533 | 0.68 | 0.78 | 48 | GOL |
| 3 | 235 | 0.58 | 0.80 | 36 | empty |
| 4 | 52 | 0.48 | 0.86 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1606 Ų buried · 30 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 2GK4 · The Crystal Structure of the DNA/Pantothenate Metabolism Flavoprotein from Streptococcus… · the same entry in another collection · chain B against B, 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 Q97QI1
- Elsewhere: RCSB PDB 2GK4 · PDBe 2GK4 · UniProt Q97QI1
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