MolNFT v1 · #70255 · protein

Crystal structure of fluorescent timer precursor BLUE102

3LF4: “Crystal structure of fluorescent timer precursor BLUE102”. X-ray diffraction, 2 ligands (LEN, 0YG), 2 pockets (best druggability 0.72). MolNFT v1 #70255 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3LF4
Type: protein
Length: 221 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Fluorescent timer precursor BLUE102
Ligands: LEN, 0YG
Pockets: 2 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 57% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Fluorescent timer precursor BLUE102	protein	62	10% helix, 53% strand	—
B	Fluorescent timer precursor BLUE102	protein	159	4% helix, 58% strand	—

Ligands and binding sites

LEN · 3-methylbutan-1-amine · ligand · chains A, B
0YG · N-[(2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoyl]glycine · ligand · chains A, B

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	55	0.72	0.98	19	0YG
2	55	0.36	0.79	15	empty

Interfaces

1 interface between chains.

A–B · 2175 Å² buried · 42 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

3LF4 · Crystal Structure of Fluorescent Timer Precursor Blue102 · 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
Elsewhere: RCSB PDB 3LF4 · PDBe 3LF4

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