Research workbench
Crystal structure of conserved exported protein from bordetella pertussis. northeast structural genomics target BER141
Analyse Crystal structure of conserved exported protein from bordetella pertussis.… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3DME
- Type
- protein
- Length
- 732 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Conserved exported protein
- UniProt
- Q7VU70
- Ligands
- FAD
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Conserved exported protein | protein | 366 | 30% helix, 27% strand | Q7VU70 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- TLA · L(+)-tartaric acid · additive · 3 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 | 1128 | 0.81 | 0.83 | 115 | TLA, FAD |
| 2 | 1184 | 0.81 | 0.82 | 110 | FAD, TLA |
| 3 | 218 | 0.68 | 0.86 | 53 | TLA |
Interfaces
1 interface between chains.
- A–B · 1159 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3DME · Crystal structure of conserved exported protein from Bordetella pertussis. NorthEast… · 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 Q7VU70
- Elsewhere: RCSB PDB 3DME · PDBe 3DME · UniProt Q7VU70
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