MolNFT v1 · #86510 · protein
Near atomic resolution crystal structure of SCO5413, a marr family transcriptional regulator from streptomyces coelicolor
4B8X · Possible marr-transcriptional regulator: “Near atomic resolution crystal structure of SCO5413, a marr family transcriptional regulator from…”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.60). MolNFT v1 #86510 on…
- PDB
- 4B8X
- Type
- protein
- Length
- 279 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Possible marr-transcriptional regulator
- UniProt
- Q9L2A7
- Ligands
- CL
- Pockets
- 2 · best druggability 0.60
Structure
x-ray diffraction · 2 distinct chains · 70% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Possible marr-transcriptional regulator | protein | 140 | 70% helix, 9% strand | Q9L2A7 |
| B | Possible marr-transcriptional regulator | protein | 139 | 70% helix, 8% strand | Q9L2A7 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 386 | 0.60 | 0.76 | 41 | empty |
| 2 | 337 | 0.59 | 0.76 | 41 | empty |
Interfaces
1 interface between chains.
- A–B · 2077 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (artifact).
Compared structures
- 4B8X · Near atomic resolution crystal structure of Sco5413, a MarR family transcriptional… · 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 Q9L2A7
- Elsewhere: RCSB PDB 4B8X · PDBe 4B8X · UniProt Q9L2A7
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