MolNFT v1 · #179941 · protein
Crystal structure of the marr family transcriptional regulator from variovorax paradoxus bound to 2,4-dichlorophenoxyacetic acid
7KKI · Transcriptional regulator, marr family: “Crystal structure of the marr family transcriptional regulator from variovorax paradoxus bound to…”. X-ray diffraction, 2 ligands (CFA, SO4), 1 pocket (best druggability 0.58). MolNFT v1…
- PDB
- 7KKI
- Type
- protein
- Length
- 135 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, marr family
- UniProt
- C5CSP2
- Ligands
- CFA, SO4
- Pockets
- 1 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 74% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator, marr family | protein | 135 | 74% helix, 9% strand | C5CSP2 |
Ligands and binding sites
- CFA · (2,4-dichlorophenoxy)acetic acid · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
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 | 417 | 0.58 | 0.74 | 28 | CFA |
Compared structures
- 7KKI · Crystal structure of the MarR family transcriptional regulator from Variovorax paradoxus… · 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 C5CSP2
- Elsewhere: RCSB PDB 7KKI · PDBe 7KKI · UniProt C5CSP2
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