MolNFT v1 · #63468 · protein

Atomic structures of the rapamycin analogs in complex with both human FKBP12 and frb domain of frap

3FAP · FK506-binding protein: “Atomic structures of the rapamycin analogs in complex with both human FKBP12 and frb domain of frap”. X-ray diffraction, 1 ligand (ARD), 1 pocket (best druggability 0.77). MolNFT v1 #63468 on GenesisL1: 3D…

PDB: 3FAP
Type: protein
Length: 201 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: FK506-binding protein; FKBP12-rapamycin associated protein
EC: 5.2.1.8
UniProt: P62942, P42345
Ligands: ARD
Pockets: 1 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	FK506-binding protein (EC 5.2.1.8)	protein	107	13% helix, 40% strand	P62942
B	FKBP12-rapamycin associated protein	protein	94	85% helix, 0% strand	P42345

Ligands and binding sites

ARD · C15-(R)-methylthienyl rapamycin · ligand · chains A, B

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	688	0.77	0.82	43	ARD

Interfaces

1 interface between chains.

A–B · 448 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

3FAP · Atomic structures of the rapamycin analogs in complex with both human FKBP12 and frb… · 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 0.98
P42345 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase mtor (P42345) · a predicted model of the same protein · chain B against A, TM-score 0.97

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
Every structure of UniProt P42345
Elsewhere: RCSB PDB 3FAP · PDBe 3FAP · UniProt P62942 · UniProt P42345

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