Download MendeleyHuman Cyclophilin D Complexed with Inhibitor
Gibson, R.P., Shore, E., Kershaw, N., Awais, M., Javed, A., Latawiec, D., Pandalaneni, S., Wen, L., Berry, N., O'Neill, P., Sutton, R., Lian, L.Y.To be published.
5CCQ | pdb_00005ccq
Human Cyclophilin D Complexed with Inhibitor
- PDB DOI: https://doi.org/10.2210/pdb5CCQ/pdb
- Classification: ISOMERASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2015-07-02 Released: 2016-07-20
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.203 (Depositor), 0.210 (DCC)
- R-Value Work: 0.164 (Depositor), 0.180 (DCC)
- R-Value Observed: 0.166 (Depositor)
Starting Model: experimental
View more details
This is version 1.1 of the entry. See complete history.
Literature
To be published.
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 F, mitochondrial | 164 | Homo sapiens | Mutation(s): 1 Gene Names: PPIF, CYP3 EC: 5.2.1.8 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P30405 (Homo sapiens) Explore P30405 Go to UniProtKB: P30405 | |||||
PHAROS: P30405 GTEx: ENSG00000108179 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P30405 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 5 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 502 Query on 502 | G [auth A] | ethyl N-{[(2-aminopyridin-4-yl)methyl]carbamoyl}glycinate C11 H16 N4 O3 HBRFEPDAWBTTTH-UHFFFAOYSA-N |  | ||
| PG4 Query on PG4 | E [auth A] | TETRAETHYLENE GLYCOL C8 H18 O5 UWHCKJMYHZGTIT-UHFFFAOYSA-N |  | ||
| PGE Query on PGE | F [auth A] | TRIETHYLENE GLYCOL C6 H14 O4 ZIBGPFATKBEMQZ-UHFFFAOYSA-N |  | ||
| FMT Query on FMT | D [auth A] | FORMIC ACID C H2 O2 BDAGIHXWWSANSR-UHFFFAOYSA-N |  | ||
| K Query on K | B [auth A], C [auth A] | POTASSIUM ION K NPYPAHLBTDXSSS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.203 (Depositor), 0.210 (DCC)
- R-Value Work: 0.164 (Depositor), 0.180 (DCC)
- R-Value Observed: 0.166 (Depositor)
Space Group: P 43 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 57.46 | α = 90 |
| b = 57.46 | β = 90 |
| c = 113.86 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| MOSFLM | data reduction |
| SCALA | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2016-07-20 Deposition Author(s): Gibson, R.P., Shore, E., Kershaw, N., Awais, M., Javed, A., Latawiec, D., Pandalaneni, S., Wen, L., Berry, N., O'Neill, P., Sutton, R., Lian, L.Y.
Revision History (Full details and data files)
- Version 1.0: 2016-07-20
Type: Initial release - Version 1.1: 2024-01-10
Changes: Data collection, Database references, Derived calculations, Refinement description
