MolNFT v1 · #102572 · protein

Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase

4OPT · Conserved archaeal protein: “Constructing tailored isoprenoid products by structure-guided modification of geranylgeranyl reductase”. X-ray diffraction, 3 ligands (FDA, GRG, SO4), 3 pockets (best druggability 0.88). MolNFT v1…

PDB: 4OPT
Type: protein
Length: 452 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Conserved archaeal protein
EC: 1.3.1.83
UniProt: Q4JA33
Ligands: FDA, GRG, SO4
Pockets: 3 · best druggability 0.88

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Conserved archaeal protein (EC 1.3.1.83)	protein	452	40% helix, 26% strand	Q4JA33

Ligands and binding sites

FDA · Dihydroflavine-adenine dinucleotide · ligand · chains A
GRG · Geranylgeranyl diphosphate · ligand · chains A
SO4 · Sulfate ion · ion · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1188	0.88	0.89	122	FDA, GRG, SO4
2	75	0.34	0.76	17	empty
3	69	0.31	0.74	12	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

4OPT · Constructing tailored isoprenoid products by structure-guided modification of… · the same entry in another collection · chain A against A, TM-score 1.00
Q4JA33 · AlphaFold monomer V2.0 prediction for digeranylgeranylglycerophospholipid reductase… · a predicted model of the same protein · 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 Q4JA33
Elsewhere: RCSB PDB 4OPT · PDBe 4OPT · UniProt Q4JA33

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