MolNFT v1 · #68719 · protein
Crystal structure of uncharacterized protein PSPTO_3204 from pseudomonas syringae pv. tomato str. DC3000
3K4I: “Crystal structure of uncharacterized protein PSPTO_3204 from pseudomonas syringae pv. tomato str. DC3000”. X-ray diffraction, 2 ligands (MG, CL), 8 pockets (best druggability 0.68). MolNFT v1 #68719 on GenesisL1: 3D structure…
- PDB
- 3K4I
- Type
- protein
- Length
- 615 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q880F6
- Ligands
- MG, CL
- Pockets
- 8 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 33% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 202 | 34% helix, 27% strand | Q880F6 |
| B | Uncharacterized protein | protein | 200 | 34% helix, 28% strand | Q880F6 |
| C | Uncharacterized protein | protein | 213 | 33% helix, 25% strand | Q880F6 |
Ligands and binding sites
- MG · Magnesium ion · metal · 3 copies · chains A, C, B
- CL · Chloride ion · ion · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 721 | 0.68 | 0.76 | 74 | empty |
| 2 | 257 | 0.59 | 0.79 | 25 | CL |
| 3 | 290 | 0.58 | 0.77 | 27 | CL |
| 4 | 143 | 0.53 | 0.80 | 28 | CL |
| 5 | 94 | 0.44 | 0.79 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1050 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 997 Ų buried · 19 hydrogen bonds · protein-protein
- B–C · 990 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3K4I · CRYSTAL STRUCTURE OF uncharacterized protein PSPTO_3204 from Pseudomonas syringae pv.… · 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 Q880F6
- Elsewhere: RCSB PDB 3K4I · PDBe 3K4I · UniProt Q880F6
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