MolNFT v1 · #13690 · protein

Engineered lipocalin DIGA16 in complex with digoxigenin

1LKE: “Engineered lipocalin DIGA16 in complex with digoxigenin”. X-ray diffraction, 1 ligand (DOG), 1 pocket (best druggability 0.76). MolNFT v1 #13690 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1LKE
Type: protein
Length: 157 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DIGA16
UniProt: P09464
Ligands: DOG
Pockets: 1 · best druggability 0.76

Structure

x-ray diffraction · 1 distinct chain · 18% helix, 49% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	DIGA16	protein	157	18% helix, 49% strand	P09464

Ligands and binding sites

DOG · Digoxigenin · ligand · 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	247	0.76	0.89	33	DOG

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

1LKE · Engineered lipocalin DIGA16 in complex with digoxigenin · the same entry in another collection · chain A against A, TM-score 1.00
P09464 · AlphaFold monomer V2.0 prediction for bilin-binding protein (P09464) · a predicted model of the same protein · chain A against A, TM-score 0.92

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 P09464
Elsewhere: RCSB PDB 1LKE · PDBe 1LKE · UniProt P09464

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