MolNFT v1 · #58521 · protein
Crystal structure of the streptomyces coelicolor tetr family protein actr in complex with (S)-dnpa
3B6C · Actii protein: “Crystal structure of the streptomyces coelicolor tetr family protein actr in complex with (S)-dnpa”. X-ray diffraction, 1 ligand (SDN), 1 pocket (best druggability 0.87). MolNFT v1 #58521 on GenesisL1: 3D structure…
- PDB
- 3B6C
- Type
- protein
- Length
- 405 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Actii protein
- UniProt
- Q53901
- Ligands
- SDN
- Pockets
- 1 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 75% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Actii protein | protein | 202 | 74% helix, 0% strand | Q53901 |
| B | Actii protein | protein | 203 | 75% helix, 0% strand | Q53901 |
Ligands and binding sites
- SDN · [(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid · ligand · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1036 | 0.87 | 0.87 | 97 | SDN |
Interfaces
1 interface between chains.
- A–B · 2058 Ų buried · 29 hydrogen bonds · protein-protein
Compared structures
- 3B6C · Crystal structure of the Streptomyces coelicolor TetR family protein ActR in complex with… · 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 Q53901
- Elsewhere: RCSB PDB 3B6C · PDBe 3B6C · UniProt Q53901
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