MolNFT v1 · #188110 · protein
Bceab nucleotide-free conformation
7TCG · Bacitracin export permease protein bceb: “Bceab nucleotide-free conformation”. Electron microscopy, 1 ligand (I0O), 18 pockets (best druggability 0.78). MolNFT v1 #188110 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7TCG
- Type
- protein
- Length
- 1,123 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
- I0O
- Pockets
- 18 · best druggability 0.78
Structure
electron microscopy · 2 distinct chains · 54% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bacitracin export permease protein bceb | protein | 635 | 61% helix, 5% strand | O34741 |
| B, C | Bacitracin export ATP-binding protein bcea | protein | 244 | 37% helix, 20% strand | O34697 |
Ligands and binding sites
- 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
18 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1184 | 0.78 | 0.79 | 125 | empty |
| 2 | 96 | 0.70 | 0.92 | 23 | empty |
| 3 | 117 | 0.69 | 0.91 | 23 | empty |
| 4 | 315 | 0.65 | 0.81 | 36 | empty |
| 5 | 302 | 0.61 | 0.78 | 28 | I0O |
Interfaces
3 interfaces between chains.
- A–B · 1033 Ų buried · 4 hydrogen bonds · protein-protein
- A–C · 1000 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 252 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7TCG · BceAB nucleotide-free conformation · the same entry in another collection · chain B against B, 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 0.96
- 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 0.94
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 7TCG · PDBe 7TCG · UniProt O34741 · UniProt O34697
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