Research workbench
Crystal structure of absc, a marr family transcriptional regulator from streptomyces coelicolor
Analyse Crystal structure of absc, a marr family transcriptional regulator from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ZMD
- Type
- protein
- Length
- 593 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative transcriptional regulator
- UniProt
- Q9L2B5
- Ligands
- SAL, NA, CL
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 71% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D | Putative transcriptional regulator | protein | 148 | 72% helix, 7% strand | Q9L2B5 |
| C | Putative transcriptional regulator | protein | 149 | 71% helix, 9% strand | Q9L2B5 |
Ligands and binding sites
- SAL · 2-hydroxybenzoic acid · ligand · chains A, B
- NA · Sodium ion · metal · 4 copies · chains A, D, B, C
- CL · Chloride ion · ion · 3 copies · chains A, D, B
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 107 | 0.76 | 0.95 | 30 | empty |
| 2 | 863 | 0.75 | 0.79 | 82 | SAL, EDO |
| 3 | 879 | 0.75 | 0.78 | 76 | EDO |
Interfaces
3 interfaces between chains.
- A–B · 2823 Ų buried · 34 hydrogen bonds · protein-protein
- C–D · 2683 Ų buried · 29 hydrogen bonds · protein-protein
- A–D · 737 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 3ZMD · Crystal structure of AbsC, a MarR family transcriptional regulator from Streptomyces… · 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 Q9L2B5
- Elsewhere: RCSB PDB 3ZMD · PDBe 3ZMD · UniProt Q9L2B5
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