- PDB-2leg: Membrane protein complex DsbB-DsbA structure by joint calculation... -
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Basic information
Entry
Database: PDB / ID: 2leg
Title
Membrane protein complex DsbB-DsbA structure by joint calculations with solid-state NMR and X-ray experimental data
Components
Disulfide bond formation protein B
Thiol:disulfide interchange protein DsbA
Keywords
MEMBRANE PROTEIN / OXIDOREDUCTASE / Disulfide bond / redox-active center / cell inner membrane / cell membrane / chaperone / electron transport / membrane / transmembrane / transport
Function / homology
Function and homology information
oxidoreductase activity, acting on a sulfur group of donors, quinone or similar compound as acceptor / cellular response to antibiotic / protein disulfide isomerase activity / protein-disulfide reductase activity / ubiquinone binding / protein folding / outer membrane-bounded periplasmic space / response to heat / electron transfer activity / plasma membrane Similarity search - Function
Bromodomain-like / DsbB-like / Disulphide bond formation protein DsbB/BdbC / Disulphide bond formation protein DsbB / DsbB-like superfamily / Disulfide bond formation protein DsbB / Thiol:disulphide interchange protein DsbA/DsbL / DSBA-like thioredoxin domain / DSBA-like thioredoxin domain / Thioredoxin, conserved site ...Bromodomain-like / DsbB-like / Disulphide bond formation protein DsbB/BdbC / Disulphide bond formation protein DsbB / DsbB-like superfamily / Disulfide bond formation protein DsbB / Thiol:disulphide interchange protein DsbA/DsbL / DSBA-like thioredoxin domain / DSBA-like thioredoxin domain / Thioredoxin, conserved site / Thioredoxin family active site. / Thioredoxin domain profile. / Thioredoxin domain / Glutaredoxin / Glutaredoxin / Thioredoxin-like superfamily / Up-down Bundle / 3-Layer(aba) Sandwich / Mainly Alpha / Alpha Beta Similarity search - Domain/homology
UBIQUINONE-1 / Disulfide bond formation protein B / Thiol:disulfide interchange protein DsbA Similarity search - Component
Method: simulated annealing / Software ordinal: 1 Details: Joint calculation of DsbB-DsbA complex with solid-state NMR restraints and X-ray reflections from PDB entry 2HI7.
NMR constraints
NOE constraints total: 811
NMR representative
Selection criteria: closest to the average
NMR ensemble
Average torsion angle constraint violation: 0 ° Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 200 / Conformers submitted total number: 10 / Maximum lower distance constraint violation: 0.51 Å / Maximum torsion angle constraint violation: 0 ° / Maximum upper distance constraint violation: 0.52 Å
NMR ensemble rms
Distance rms dev: 0.121 Å / Distance rms dev error: 0.003 Å
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