MolNFT v1 · #66540 · protein
Crystal structure of multidrug binding protein ebrr complexed with imidazole
3HTA · Ebra repressor: “Crystal structure of multidrug binding protein ebrr complexed with imidazole”. X-ray diffraction, 10 pockets (best druggability 0.64). MolNFT v1 #66540 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3HTA
- Type
- protein
- Length
- 736 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ebra repressor
- UniProt
- Q79SH7
- Pockets
- 10 · best druggability 0.64
Structure
x-ray diffraction · 4 distinct chains · 73% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ebra repressor | protein | 190 | 71% helix, 0% strand | Q79SH7 |
| B | Ebra repressor | protein | 179 | 75% helix, 0% strand | Q79SH7 |
| C | Ebra repressor | protein | 189 | 73% helix, 0% strand | Q79SH7 |
| D | Ebra repressor | protein | 178 | 74% helix, 0% strand | Q79SH7 |
Ligands and binding sites
- IMD · Imidazole · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 175 | 0.64 | 0.85 | 31 | empty |
| 2 | 247 | 0.64 | 0.82 | 33 | empty |
| 3 | 92 | 0.52 | 0.84 | 20 | empty |
| 4 | 108 | 0.46 | 0.79 | 22 | empty |
| 5 | 70 | 0.38 | 0.78 | 19 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1888 Ų buried · 25 hydrogen bonds · protein-protein
- A–B · 1881 Ų buried · 24 hydrogen bonds · protein-protein
- A–C · 480 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 276 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3HTA · Crystal structure of multidrug binding protein EbrR complexed with imidazole · 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 Q79SH7
- Elsewhere: RCSB PDB 3HTA · PDBe 3HTA · UniProt Q79SH7
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