MolNFT v1 · #75965 · protein
X-ray crystal structure of the protein SSP2350 from staphylococcus saprophyticus, northeast structural genomics consortium target SYR116
3Q6A · Uncharacterized protein: “X-ray crystal structure of the protein SSP2350 from staphylococcus saprophyticus, northeast structural…”. X-ray diffraction, 8 pockets (best druggability 0.71). MolNFT v1 #75965 on GenesisL1: 3D structure…
- PDB
- 3Q6A
- Type
- protein
- Length
- 1,077 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q49US3
- Pockets
- 8 · best druggability 0.71
Structure
x-ray diffraction · 3 distinct chains · 28% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 134 | 29% helix, 34% strand | Q49US3 |
| B, C, D, F, H | Uncharacterized protein | protein | 135 | 29% helix, 37% strand | Q49US3 |
| E, G | Uncharacterized protein | protein | 134 | 27% helix, 35% strand | Q49US3 |
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 681 | 0.71 | 0.78 | 58 | empty |
| 2 | 760 | 0.67 | 0.75 | 88 | empty |
| 3 | 440 | 0.60 | 0.76 | 53 | empty |
| 4 | 333 | 0.60 | 0.77 | 30 | empty |
| 5 | 106 | 0.39 | 0.75 | 22 | empty |
Interfaces
10 interfaces between chains.
- E–H · 1038 Ų buried · 4 hydrogen bonds · protein-protein
- F–G · 1022 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 876 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 849 Ų buried · 4 hydrogen bonds · protein-protein
- E–G · 445 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 24 modified (engineered).
Compared structures
- 3Q6A · X-ray crystal structure of the protein SSP2350 from Staphylococcus saprophyticus… · 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 Q49US3
- Elsewhere: RCSB PDB 3Q6A · PDBe 3Q6A · UniProt Q49US3
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