MolNFT v1 · #11019 · protein

Crystal structure of 1,3,6,8-tetrahydroxynaphthalene reductase in complex with NADPH and pyroquilon

1JA9: “Crystal structure of 1,3,6,8-tetrahydroxynaphthalene reductase in complex with NADPH and pyroquilon”. X-ray diffraction, 2 ligands (NDP, PYQ), 2 pockets (best druggability 0.77). MolNFT v1 #11019 on GenesisL1: 3D structure, binding…

PDB: 1JA9
Type: protein
Length: 259 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 1,3,6,8-tetrahydroxynaphthalene reductase
UniProt: Q9HFV6
Ligands: NDP, PYQ
Pockets: 2 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	1,3,6,8-tetrahydroxynaphthalene reductase	protein	259	50% helix, 17% strand	Q9HFV6

Ligands and binding sites

NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
PYQ · Pyroquilon · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	351	0.77	0.87	45	NDP, PYQ
2	59	0.47	0.84	20	empty

Compared structures

1JA9 · Crystal structure of 1,3,6,8-tetrahydroxynaphthalene reductase in complex with NADPH and… · 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 Q9HFV6
Elsewhere: RCSB PDB 1JA9 · PDBe 1JA9 · UniProt Q9HFV6

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