Research workbench
Crystal structure of a domain of unknown function (DUF1537) from bordetella bronchiseptica (BB3215), target efi-511620, with bound citrate, domain swapped dimer, space group P6522
Analyse Crystal structure of a domain of unknown function (DUF1537) from bordetella… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4XFR
- Type
- protein
- Length
- 802 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- Q7WHJ2
- Pockets
- 7 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Uncharacterized protein | protein | 401 | 46% helix, 22% strand | Q7WHJ2 |
Ligands and binding sites
- CIT · Citric acid · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 933 | 0.71 | 0.76 | 83 | empty |
| 2 | 434 | 0.59 | 0.75 | 56 | CIT |
| 3 | 392 | 0.58 | 0.75 | 59 | CIT |
| 4 | 149 | 0.43 | 0.75 | 21 | empty |
| 5 | 128 | 0.41 | 0.76 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1628 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 4XFR · Crystal structure of a domain of unknown function (DUF1537) from Bordetella… · 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 Q7WHJ2
- Elsewhere: RCSB PDB 4XFR · PDBe 4XFR · UniProt Q7WHJ2
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