MolNFT v1 · #104870 · protein
Crystal structure of PSPF(1-265) E108Q mutant bound to ATP
4QNR · Psp operon transcriptional activator: “Crystal structure of PSPF(1-265) E108Q mutant bound to ATP”. X-ray diffraction, 2 ligands (ATP, MG), 3 pockets (best druggability 0.48). MolNFT v1 #104870 on GenesisL1: 3D structure, binding…
- PDB
- 4QNR
- Type
- protein
- Length
- 243 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Psp operon transcriptional activator
- UniProt
- P37344
- Ligands
- ATP, MG
- Pockets
- 3 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Psp operon transcriptional activator | protein | 243 | 46% helix, 13% strand | P37344 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
- GOL · Glycerol · additive · 2 copies · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 124 | 0.48 | 0.79 | 22 | ATP, MG |
| 2 | 79 | 0.42 | 0.79 | 14 | empty |
| 3 | 97 | 0.37 | 0.75 | 21 | GOL |
Compared structures
- 4QNR · CRYSTAL STRUCTURE OF PSPF(1-265) E108Q MUTANT bound to ATP · the same entry in another collection · chain A against A, TM-score 1.00
- P37344 · AlphaFold monomer V2.0 prediction for psp operon transcriptional activator (P37344) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P37344
- Elsewhere: RCSB PDB 4QNR · PDBe 4QNR · UniProt P37344
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