MolNFT v1 · #101774 · protein
Crystal structure of the regulatory domain of ameglnr
4O1H · Transcription regulator glnr: “Crystal structure of the regulatory domain of ameglnr”. X-ray diffraction, 4 pockets (best druggability 0.66). MolNFT v1 #101774 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4O1H
- Type
- protein
- Length
- 463 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcription regulator glnr
- UniProt
- Q8GD11
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 3 distinct chains · 36% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcription regulator glnr | protein | 119 | 33% helix, 18% strand | Q8GD11 |
| B | Transcription regulator glnr | protein | 116 | 34% helix, 19% strand | Q8GD11 |
| C, D | Transcription regulator glnr | protein | 114 | 39% helix, 21% strand | Q8GD11 |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 231 | 0.66 | 0.84 | 54 | empty |
| 2 | 197 | 0.51 | 0.77 | 25 | empty |
| 3 | 109 | 0.36 | 0.74 | 20 | empty |
| 4 | 52 | 0.28 | 0.75 | 18 | empty |
Interfaces
6 interfaces between chains.
- C–D · 686 Ų buried · 7 hydrogen bonds · protein-protein
- A–B · 667 Ų buried · 9 hydrogen bonds · protein-protein
- B–C · 247 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 235 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 171 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 4O1H · Crystal Structure of the regulatory domain of AmeGlnR · 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 Q8GD11
- Elsewhere: RCSB PDB 4O1H · PDBe 4O1H · UniProt Q8GD11
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