Download MendeleyAtomic structure of the Immunophilin FKBP13-FK506 Complex: Insights into the Composite Binding Surface for Calcineurin
Schultz, L.W., Martin, P.K., Liang, J., Schreiber, S.L., Clardy, J.(1994) J Am Chem Soc 116: 3129-3130
4NNR
FKBP13-FK506 Complex
- PDB DOI: https://doi.org/10.2210/pdb4NNR/pdb
- Classification: isomerase/isomerase inhibitor
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2013-11-18 Released: 2014-02-05
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.98 Å
- R-Value Free: 0.221
- R-Value Work: 0.159
- R-Value Observed: 0.159
This is version 1.2 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Peptidyl-prolyl cis-trans isomerase FKBP2 | 142 | Homo sapiens | Mutation(s): 0 Gene Names: FKBP2, FKBP13 EC: 5.2.1.8 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P26885 (Homo sapiens) Explore P26885 Go to UniProtKB: P26885 | |||||
PHAROS: P26885 GTEx: ENSG00000173486 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P26885 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| FK5 Query on FK5 | C [auth A], D [auth B] | 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN C44 H69 N O12 QJJXYPPXXYFBGM-LFZNUXCKSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.98 Å
- R-Value Free: 0.221
- R-Value Work: 0.159
- R-Value Observed: 0.159
- Space Group: P 21 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 74.26 | α = 90 |
| b = 74.06 | β = 90 |
| c = 39.24 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SDMS | data collection |
| X-PLOR | model building |
| X-PLOR | refinement |
| SDMS | data reduction |
| SCALEPACK | data scaling |
| X-PLOR | phasing |
Entry History
Deposition Data
- Released Date: 2014-02-05 Deposition Author(s): Schultz, L.W., Martin, P.K., Liang, J., Schreiber, S.L., Clardy, J.
Revision History (Full details and data files)
- Version 1.0: 2014-02-05
Type: Initial release - Version 1.1: 2019-11-13
Changes: Database references - Version 1.2: 2024-11-20
Changes: Data collection, Database references, Derived calculations, Structure summary
