Research workbench
Bceab E169Q variant ATP-bound conformation
Analyse Bceab E169Q variant ATP-bound conformation in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7TCH
- Type
- protein
- Length
- 1,135 residues
- Chains
- 3
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacitracin export permease protein bceb; Bacitracin export ATP-binding protein bcea
- UniProt
- O34741, O34697
- Ligands
- ATP, I0O
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 2 distinct chains · 53% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bacitracin export permease protein bceb | protein | 645 | 60% helix, 6% strand | O34741 |
| B, C | Bacitracin export ATP-binding protein bcea | protein | 245 | 34% helix, 18% strand | O34697 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains B, C
- I0O · 4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2e,6e,10z,14z,18z, 22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1176 | 0.85 | 0.86 | 118 | ATP |
| 2 | 1083 | 0.84 | 0.84 | 73 | I0O |
| 3 | 426 | 0.71 | 0.82 | 48 | empty |
| 4 | 117 | 0.71 | 0.92 | 31 | empty |
| 5 | 53 | 0.71 | 0.97 | 19 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1323 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 1113 Ų buried · 3 hydrogen bonds · protein-protein
- B–C · 661 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 7TCH · BceAB E169Q variant ATP-bound conformation · the same entry in another collection · chain A against A, TM-score 1.00
- O34697 · AlphaFold monomer V2.0 prediction for bacitracin export ATP-binding protein bcea (O34697) · a predicted model of the same protein · chain B against A, TM-score 0.88
- O34741 · AlphaFold monomer V2.0 prediction for bacitracin export permease protein bceb (O34741) · a predicted model of the same protein · chain A against A, TM-score 0.72
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 O34741
- Every structure of UniProt O34697
- Elsewhere: RCSB PDB 7TCH · PDBe 7TCH · UniProt O34741 · UniProt O34697
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