MolNFT v1 · #37883 · protein
Crystal structure of hth-type transcriptional regulator pksa related protein from rhodococcus sp. RHA1
2GFN: “Crystal structure of hth-type transcriptional regulator pksa related protein from rhodococcus sp. RHA1”. X-ray diffraction, 1 ligand (CL), 3 pockets (best druggability 0.59). MolNFT v1 #37883 on GenesisL1: 3D structure, binding…
- PDB
- 2GFN
- Type
- protein
- Length
- 385 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hth-type transcriptional regulator pksa related protein
- UniProt
- Q5YVI4
- Ligands
- CL
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 77% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hth-type transcriptional regulator pksa related protein | protein | 192 | 76% helix, 0% strand | Q5YVI4 |
| B | Hth-type transcriptional regulator pksa related protein | protein | 193 | 78% helix, 0% strand | Q5YVI4 |
Ligands and binding sites
- CL · Chloride ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.59 | 0.86 | 19 | empty |
| 2 | 85 | 0.52 | 0.84 | 16 | empty |
| 3 | 70 | 0.33 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1398 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 2GFN · Crystal structure of HTH-type transcriptional regulator pksA related protein from… · the same entry in another collection · chain B against B, 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 Q5YVI4
- Elsewhere: RCSB PDB 2GFN · PDBe 2GFN · UniProt Q5YVI4
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