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Solution structure of FKBP12 complexed with gpi-1046, a neurotrophic ligand

Analyse Solution structure of FKBP12 complexed with gpi-1046, a neurotrophic ligand in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1F40
Type: protein
Length: 107 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: FK506 binding protein (FKBP12)
UniProt: P62942
Ligands: GPI
Pockets: 1 · best druggability 0.42

Structure

solution nmr · 1 distinct chain · 13% helix, 40% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	FK506 binding protein (FKBP12)	protein	107	13% helix, 40% strand	P62942

Ligands and binding sites

GPI · (2S)-[3-pyridyl-1-propyl]-1-[3,3-dimethyl-1,2-dioxopentyl]-2-pyrrolidinecarboxylate · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	84	0.42	0.78	13	GPI

Compared structures

1F40 · Solution structure of FKBP12 complexed with gpi-1046, a neurotrophic ligand · the same entry in another collection · chain A against A, TM-score 1.00
P62942 · AlphaFold monomer V2.0 prediction for peptidyl-prolyl cis-trans isomerase FKBP1A (P62942) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P62942
Elsewhere: RCSB PDB 1F40 · PDBe 1F40 · UniProt P62942

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