MolNFT v1 · #48774 · protein
Crystal structure of an uncharacterized protein from DUF3478 family with a spoiiaa-like fold (SHEW_3102) from shewanella loihica pv-4 at 2.25 a resolution
2Q3L: “Crystal structure of an uncharacterized protein from DUF3478 family with a spoiiaa-like fold (SHEW_3102) from…”. X-ray diffraction, 2 ligands (NA, CL), 3 pockets (best druggability 0.72). MolNFT v1 #48774 on GenesisL1: 3D structure…
- PDB
- 2Q3L
- Type
- protein
- Length
- 248 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- A3QHM0
- Ligands
- NA, CL
- Pockets
- 3 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 126 | 41% helix, 39% strand | A3QHM0 |
| B | Uncharacterized protein | protein | 122 | 45% helix, 36% strand | A3QHM0 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 9 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 432 | 0.72 | 0.82 | 36 | MPD |
| 2 | 423 | 0.72 | 0.82 | 32 | MPD |
| 3 | 93 | 0.53 | 0.84 | 26 | CL |
Interfaces
1 interface between chains.
- A–B · 820 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 2Q3L · Crystal structure of an uncharacterized protein from DUF3478 family with a spoiiaa-like… · 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 A3QHM0
- Elsewhere: RCSB PDB 2Q3L · PDBe 2Q3L · UniProt A3QHM0
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