MolNFT v1 · #116801 · protein

Crystal structure of jamj enoyl reductase (NADPH bound)

5DOZ: “Crystal structure of jamj enoyl reductase (NADPH bound)”. X-ray diffraction, 1 ligand (NDP), 9 pockets (best druggability 0.78). MolNFT v1 #116801 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5DOZ
Type: protein
Length: 996 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Jamj
UniProt: Q6E7K0
Ligands: NDP
Pockets: 9 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C	Jamj	protein	332	36% helix, 25% strand	Q6E7K0

Ligands and binding sites

NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 3 copies · chains A, B, C
ACT · Acetate ion · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	420	0.78	0.87	47	ACT, NDP
2	541	0.78	0.85	49	NDP
3	470	0.78	0.86	47	NDP
4	208	0.61	0.82	36	empty
5	211	0.50	0.76	24	empty

Interfaces

2 interfaces between chains.

A–B · 508 Å² buried · 2 hydrogen bonds · protein-protein
B–C · 265 Å² buried · 1 hydrogen bond · protein-protein

Compared structures

5DOZ · Crystal structure of JamJ enoyl reductase (NADPH bound) · 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 Q6E7K0
Elsewhere: RCSB PDB 5DOZ · PDBe 5DOZ · UniProt Q6E7K0

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.