Research workbench
Crystal structure of the streptomyces coelicolor tetr family protein actr in complex with actinorhodin
Analyse Crystal structure of the streptomyces coelicolor tetr family protein actr in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3B6A
- Type
- protein
- Length
- 1,688 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Actr protein
- UniProt
- Q53901
- Ligands
- ZCT
- Pockets
- 16 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G | Actr protein | protein | 213 | 71% helix, 0% strand | Q53901 |
| B, D, F, H | Actr protein | protein | 209 | 71% helix, 0% strand | Q53901 |
Ligands and binding sites
- ZCT · 2,2'-[(1R,1'R,3S,3'S)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1H,1'H-8,8'-bibenzo[g]isochromene-3,3'-diyl]diacetic acid · ligand · 8 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 895 | 0.83 | 0.85 | 88 | ZCT |
| 2 | 836 | 0.82 | 0.84 | 63 | ZCT |
| 3 | 762 | 0.82 | 0.85 | 71 | ZCT |
| 4 | 1013 | 0.82 | 0.83 | 92 | ZCT |
| 5 | 1091 | 0.81 | 0.82 | 92 | ZCT |
Interfaces
10 interfaces between chains.
- A–B · 2072 Ų buried · 20 hydrogen bonds · protein-protein
- E–F · 2071 Ų buried · 20 hydrogen bonds · protein-protein
- G–H · 2063 Ų buried · 17 hydrogen bonds · protein-protein
- C–D · 2052 Ų buried · 19 hydrogen bonds · protein-protein
- A–D · 533 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 3B6A · 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 3B6A · PDBe 3B6A · UniProt Q53901
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