4JFI
Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with compound 1-[(9S,13R,13aR)-1,3-dimethoxy-8-oxo-5,8,9,10,11,12,13,13a-octahydro-6H-9,13-epiminoazocino[2,1-a]isoquinolin-14-yl]-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003755 | molecular_function | peptidyl-prolyl cis-trans isomerase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 1KT A 201 |
| Chain | Residue |
| A | TYR57 |
| A | TYR113 |
| A | SER118 |
| A | LYS121 |
| A | PHE130 |
| A | PHE67 |
| A | ASP68 |
| A | ARG73 |
| A | PHE77 |
| A | GLN85 |
| A | VAL86 |
| A | ILE87 |
| A | TRP90 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS A 202 |
| Chain | Residue |
| A | LYS38 |
| A | THR46 |
| A | ALA95 |
| A | HOH354 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 203 |
| Chain | Residue |
| A | ALA14 |
| A | GLU44 |
| A | LYS60 |
| A | HIS104 |
| A | GLU131 |
| A | HOH324 |
| A | HOH477 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 88 |
| Details | Domain: {"description":"PPIase FKBP-type 1","evidences":[{"source":"PROSITE-ProRule","id":"PRU00277","evidenceCode":"ECO:0000255"}]} |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"PubMed","id":"28147277","evidenceCode":"ECO:0000269"}]} |
