Download MendeleyNatural ligand-nonmimetic inhibitors of the lipid-transfer protein CERT
Nakao, N., Ueno, M., Sakai, S., Egawa, D., Hanzawa, H., Kawasaki, S., Kumagai, K., Suzuki, M., Kobayashi, S., Hanada, K.(2019) Commun Chem
6J0O | pdb_00006j0o
Crystal structure of CERT START domain in complex with compound SC1
- PDB DOI: https://doi.org/10.2210/pdb6J0O/pdb
- Classification: LIPID TRANSPORT
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2018-12-25 Released: 2019-02-27
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.243 (Depositor), 0.240 (DCC)
- R-Value Work: 0.202 (Depositor), 0.200 (DCC)
- R-Value Observed: 0.203 (Depositor)
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 |
| LIPID-TRANSFER PROTEIN CERT | 237 | Homo sapiens | Mutation(s): 0 Gene Names: CERT |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q9Y5P4 (Homo sapiens) Explore Q9Y5P4 Go to UniProtKB: Q9Y5P4 | |||||
PHAROS: Q9Y5P4 GTEx: ENSG00000113163 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9Y5P4 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| XAF (Subject of Investigation/LOI) Query on XAF | B [auth A] | 2-[4-[2-fluoranyl-5-[3-(6-methylpyridin-2-yl)-1~{H}-pyrazol-4-yl]phenyl]phenyl]sulfonylethanol C23 H20 F N3 O3 S IFQCNLVDAWIXAR-UHFFFAOYSA-N |  | ||
| UNX Query on UNX | C [auth A] | UNKNOWN ATOM OR ION X |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.243 (Depositor), 0.240 (DCC)
- R-Value Work: 0.202 (Depositor), 0.200 (DCC)
- R-Value Observed: 0.203 (Depositor)
Space Group: P 41 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 60.25 | α = 90 |
| b = 60.25 | β = 90 |
| c = 153.55 | γ = 90 |
| Software Name | Purpose |
|---|---|
| MOSFLM | data reduction |
| Aimless | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| REFMAC | phasing |
Entry History
Deposition Data
- Released Date: 2019-02-27 Deposition Author(s): Suzuki, M., Nakao, N., Ueno, M., Sakai, S., Egawa, D., Hanzawa, H., Kawasaki, S., Kumagai, K., Kobayashi, S., Hanada, K.
Revision History (Full details and data files)
- Version 1.0: 2019-02-27
Type: Initial release - Version 1.1: 2019-03-06
Changes: Data collection, Database references - Version 1.2: 2024-03-27
Changes: Data collection, Database references
