MolNFT v1 · #58909 · protein
Crystal structure of a putative tetr-family transcriptional regulator (MLR_4833) from mesorhizobium loti MAFF303099 at 1.54 a resolution
3BHQ: “Crystal structure of a putative tetr-family transcriptional regulator (MLR_4833) from mesorhizobium loti…”. X-ray diffraction, 1 ligand (CL), 4 pockets (best druggability 0.53). MolNFT v1 #58909 on GenesisL1: 3D structure, binding…
- PDB
- 3BHQ
- Type
- protein
- Length
- 404 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator
- UniProt
- Q98D70
- Ligands
- CL
- Pockets
- 4 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 80% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Transcriptional regulator | protein | 202 | 80% helix, 1% strand | Q98D70 |
Ligands and binding sites
- CL · Chloride ion · ion · 3 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 14 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 276 | 0.53 | 0.76 | 39 | CL, EDO |
| 2 | 133 | 0.44 | 0.76 | 16 | empty |
| 3 | 62 | 0.30 | 0.74 | 11 | EDO |
| 4 | 64 | 0.29 | 0.73 | 15 | EDO |
Interfaces
1 interface between chains.
- A–B · 1676 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 3BHQ · Crystal structure of a putative tetr-family transcriptional regulator (MLR_4833) from… · 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 Q98D70
- Elsewhere: RCSB PDB 3BHQ · PDBe 3BHQ · UniProt Q98D70
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