Research workbench
Crystal structure of S. aureus tarj in complex with NADPH
Analyse Crystal structure of S. aureus tarj in complex with NADPH in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6XHK
- Type
- protein
- Length
- 317 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribulose-5-phosphate reductase 1
- EC
- 1.1.1.405
- UniProt
- Q2G1B9
- Ligands
- NDP
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribulose-5-phosphate reductase 1 (EC 1.1.1.405) | protein | 317 | 33% helix, 28% strand | Q2G1B9 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · 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 | 596 | 0.65 | 0.75 | 60 | NDP |
| 2 | 53 | 0.28 | 0.75 | 14 | empty |
Modifications
Observed in the structure: 1 modified (artifact).
Compared structures
- 6XHK · Crystal structure of S. aureus TarJ in complex with NADPH · the same entry in another collection · chain A against A, TM-score 1.00
- Q2G1B9 · AlphaFold monomer V2.0 prediction for ribulose-5-phosphate reductase 1 (Q2G1B9) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q2G1B9
- Elsewhere: RCSB PDB 6XHK · PDBe 6XHK · UniProt Q2G1B9
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