MolNFT v1 · #165277 · protein
Pqsr (mvfr) bound to inhibitory compound 40
6TPR · Transcriptional regulator mvfr: “Pqsr (mvfr) bound to inhibitory compound 40”. X-ray diffraction, 1 ligand (NV5), 2 pockets (best druggability 0.67). MolNFT v1 #165277 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6TPR
- Type
- protein
- Length
- 203 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator mvfr
- UniProt
- A0A0H2Z7A6
- Ligands
- NV5
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator mvfr | protein | 203 | 33% helix, 25% strand | A0A0H2Z7A6 |
Ligands and binding sites
- NV5 · 2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl) sulfanyl]-~{N}-(4-pyridin-2-yloxyphenyl)ethanamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 254 | 0.67 | 0.83 | 33 | NV5 |
| 2 | 94 | 0.42 | 0.78 | 23 | empty |
Compared structures
- 6TPR · PqsR (MvfR) bound to inhibitory compound 40 · 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 A0A0H2Z7A6
- Elsewhere: RCSB PDB 6TPR · PDBe 6TPR · UniProt A0A0H2Z7A6
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