Research workbench
Crystal structure of a protein of unknown function with a cupin-like fold (REUT_B4571) from ralstonia eutropha JMP134 at 2.60 a resolution
Analyse Crystal structure of a protein of unknown function with a cupin-like fold… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3CJX
- Type
- protein
- Length
- 1,262 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein of unknown function with a cupin-like fold
- UniProt
- Q46SG3
- Ligands
- SO4, CL
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 6 distinct chains · 11% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein of unknown function with a cupin-like fold | protein | 162 | 10% helix, 43% strand | Q46SG3 |
| B | Protein of unknown function with a cupin-like fold | protein | 150 | 11% helix, 44% strand | Q46SG3 |
| C, H | Protein of unknown function with a cupin-like fold | protein | 158 | 11% helix, 44% strand | Q46SG3 |
| D | Protein of unknown function with a cupin-like fold | protein | 159 | 11% helix, 45% strand | Q46SG3 |
| E | Protein of unknown function with a cupin-like fold | protein | 161 | 11% helix, 42% strand | Q46SG3 |
| F, G | Protein of unknown function with a cupin-like fold | protein | 157 | 11% helix, 45% strand | Q46SG3 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 9 copies · chains A, B, C, D, E, F, G, H
- CL · Chloride ion · ion · 4 copies · chains D, E, G, H
- GOL · Glycerol · additive · 10 copies · chains A, B, D, C, E, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 640 | 0.86 | 0.91 | 72 | GOL |
| 2 | 603 | 0.86 | 0.91 | 69 | empty |
| 3 | 270 | 0.83 | 0.93 | 32 | empty |
| 4 | 610 | 0.82 | 0.88 | 65 | SO4, GOL |
| 5 | 239 | 0.82 | 0.94 | 29 | empty |
Interfaces
15 interfaces between chains.
- A–B · 1455 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 1409 Ų buried · 23 hydrogen bonds · protein-protein
- G–H · 1381 Ų buried · 20 hydrogen bonds · protein-protein
- E–F · 1372 Ų buried · 24 hydrogen bonds · protein-protein
- A–D · 793 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 40 modified (engineered).
Compared structures
- 3CJX · Crystal structure of a protein of unknown function with a cupin-like fold (reut_b4571)… · 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 Q46SG3
- Elsewhere: RCSB PDB 3CJX · PDBe 3CJX · UniProt Q46SG3
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