MolNFT v1 · #59586 · protein
Crystal structure of tetr transcriptional regulator from agrobacterium tumefaciens
3C2B · Transcriptional regulator, tetr family: “Crystal structure of tetr transcriptional regulator from agrobacterium tumefaciens”. X-ray diffraction, 7 pockets (best druggability 0.70). MolNFT v1 #59586 on GenesisL1: 3D structure…
- PDB
- 3C2B
- Type
- protein
- Length
- 394 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, tetr family
- UniProt
- A9CID8
- Pockets
- 7 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 75% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator, tetr family | protein | 200 | 74% helix, 1% strand | A9CID8 |
| B | Transcriptional regulator, tetr family | protein | 194 | 76% helix, 2% strand | A9CID8 |
Ligands and binding sites
- FMT · Formic acid · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 240 | 0.70 | 0.86 | 39 | empty |
| 2 | 189 | 0.68 | 0.86 | 33 | empty |
| 3 | 227 | 0.52 | 0.76 | 28 | FMT |
| 4 | 135 | 0.41 | 0.75 | 21 | empty |
| 5 | 100 | 0.38 | 0.76 | 17 | FMT |
Interfaces
1 interface between chains.
- A–B · 1749 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 3C2B · Crystal structure of TetR transcriptional regulator from Agrobacterium tumefaciens · 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 A9CID8
- Elsewhere: RCSB PDB 3C2B · PDBe 3C2B · UniProt A9CID8
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