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Crystal structure of cyclohexadienyl dehydrogenase from sinorhizobium meliloti in complex with NADP and tyrosine

Analyse Crystal structure of cyclohexadienyl dehydrogenase from sinorhizobium meliloti… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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.

Pocket	Volume (Å³)	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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