MolNFT v1 · #43489 · protein
Membrane protein complex dsbb-dsba structure by joint calculations with solid-state NMR and X-ray experimental data
2LEG · THIOL:DISULFIDE interchange protein dsba: “Membrane protein complex dsbb-dsba structure by joint calculations with solid-state NMR and X-ray…”. Solid-state nmr, 2 ligands (UQ1, ZN), 2 pockets (best druggability 0.73). MolNFT v1…
- PDB
- 2LEG
- Type
- protein
- Length
- 322 residues
- Chains
- 2
- Method
- solid-state nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- THIOL:DISULFIDE interchange protein dsba; Disulfide bond formation protein B
- UniProt
- P0AEG4, P0A6M2
- Ligands
- UQ1, ZN
- Pockets
- 2 · best druggability 0.73
Structure
solid-state nmr · 2 distinct chains · 52% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | THIOL:DISULFIDE interchange protein dsba | protein | 188 | 49% helix, 9% strand | P0AEG4 |
| B | Disulfide bond formation protein B | protein | 134 | 57% helix, 0% strand | P0A6M2 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 923 | 0.73 | 0.76 | 74 | UQ1 |
| 2 | 77 | 0.44 | 0.81 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 739 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2LEG · Membrane protein complex DsbB-DsbA structure by joint calculations with solid-state NMR… · the same entry in another collection · chain A against A, TM-score 1.00
- P0AEG4 · AlphaFold monomer V2.0 prediction for THIOL:DISULFIDE interchange protein dsba (P0AEG4) · a predicted model of the same protein · chain A against A, TM-score 0.93
- P0A6M2 · AlphaFold monomer V2.0 prediction for disulfide bond formation protein B (P0A6M2) · a predicted model of the same protein · chain B against A, TM-score 0.76
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 P0AEG4
- Every structure of UniProt P0A6M2
- Elsewhere: RCSB PDB 2LEG · PDBe 2LEG · UniProt P0AEG4 · UniProt P0A6M2
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