MolNFT v1 · #108829 · protein
Crystal structure of cyclohexadienyl dehydrogenase from sinorhizobium meliloti in complex with NADP and tyrosine
4WJI · Putative cyclohexadienyl dehydrogenase and adh prephenate…: “Crystal structure of cyclohexadienyl dehydrogenase from sinorhizobium meliloti in complex with NADP and…”. X-ray diffraction, 4 ligands (NAP, TYR, MG), 1 pocket (best…
- PDB
- 4WJI
- Type
- protein
- Length
- 293 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative cyclohexadienyl dehydrogenase and adh prephenate dehydrogenase
- EC
- 1.3.1.-
- UniProt
- Q92MG1
- Ligands
- NAP, TYR, MG, CL
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative cyclohexadienyl dehydrogenase and adh prephenate dehydrogenase (EC 1.3.1.-) | protein | 293 | 55% helix, 13% strand | Q92MG1 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- TYR · Tyrosine · ligand · chains A
- MG · Magnesium ion · metal · 4 copies · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 584 | 0.72 | 0.80 | 61 | NAP, TYR |
Modifications
Observed in the structure: 5 modified (engineered).
Compared structures
- 4WJI · Crystal structure of cyclohexadienyl dehydrogenase from Sinorhizobium meliloti in complex… · 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 Q92MG1
- Elsewhere: RCSB PDB 4WJI · PDBe 4WJI · UniProt Q92MG1
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