MolNFT v1 · #19618 · protein
FK506 binding protein (12 kda, human) complex with L-707,587
1QPL · Protein (FK506-binding protein): “FK506 binding protein (12 kda, human) complex with L-707,587”. X-ray diffraction, 1 ligand (587), 2 pockets (best druggability 0.56). MolNFT v1 #19618 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1QPL
- Type
- protein
- Length
- 214 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (FK506-binding protein)
- UniProt
- P62942
- Ligands
- 587
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 10% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Protein (FK506-binding protein) | protein | 107 | 10% helix, 40% strand | P62942 |
Ligands and binding sites
- 587 · C32-O-(1-methyl-indol-5-yl) 18-hydroxy-ascomycin · ligand · 2 copies · chains A, C
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 238 | 0.56 | 0.77 | 26 | 587 |
| 2 | 73 | 0.37 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–C · 549 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1QPL · FK506 binding protein (12 kda, human) complex with L-707,587 · 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
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 1QPL · PDBe 1QPL · UniProt P62942
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