MolNFT v1 · #73080 · protein
Crystal structure of a tetr family transcriptional regulator (CAUR_2714) from chloroflexus aurantiacus J-10-fl at 2.56 a resolution
3NRG: “Crystal structure of a tetr family transcriptional regulator (CAUR_2714) from chloroflexus aurantiacus…”. X-ray diffraction, 1 ligand (CL), 10 pockets (best druggability 0.82). MolNFT v1 #73080 on GenesisL1: 3D structure, binding…
- PDB
- 3NRG
- Type
- protein
- Length
- 1,085 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tetr family transcriptional regulator
- UniProt
- A9WJL5
- Ligands
- CL
- Pockets
- 10 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 75% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E | Tetr family transcriptional regulator | protein | 217 | 75% helix, 1% strand | A9WJL5 |
Ligands and binding sites
- CL · Chloride ion · ion · 5 copies · chains A, B, C, D, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 575 | 0.82 | 0.87 | 51 | empty |
| 2 | 553 | 0.81 | 0.87 | 54 | empty |
| 3 | 578 | 0.81 | 0.86 | 53 | empty |
| 4 | 1004 | 0.81 | 0.82 | 70 | empty |
| 5 | 434 | 0.75 | 0.84 | 34 | empty |
Interfaces
5 interfaces between chains.
- B–C · 1517 Ų buried · 21 hydrogen bonds · protein-protein
- D–E · 1497 Ų buried · 19 hydrogen bonds · protein-protein
- A–D · 1212 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 155 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 26 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 25 modified (engineered).
Compared structures
- 3NRG · Crystal structure of a TetR family transcriptional regulator (Caur_2714) from… · 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 A9WJL5
- Elsewhere: RCSB PDB 3NRG · PDBe 3NRG · UniProt A9WJL5
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