Download MendeleyCrystal Structure of a human FABP5 complex
Obst, U., Magnone, C., Kuhn, B., Rudolph, M.G.To be published.
7G01
Crystal Structure of human FABP5 in complex with 6-chloro-4-phenyl-2-piperidin-1-ylquinoline-3-carboxylic acid, i.e. SMILES n1c(c(c(c2c1ccc(c2)Cl)c1ccccc1)C(=O)O)N1CCCCC1 with IC50=1.1 microM
- PDB DOI: https://doi.org/10.2210/pdb7G01/pdb
- Deposition Group: G_1002264 ExploreG_1002264
- Classification: LIPID BINDING PROTEIN
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2023-04-27 Released: 2023-06-14
- Funding Organization(s): F. Hoffmann-La Roche LTD
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.17 Å
- R-Value Free: 0.171
- R-Value Work: 0.154
- R-Value Observed: 0.155
Starting Model: other
View more details
This is version 1.3 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 |
| Fatty acid-binding protein 5 | 138 | Homo sapiens | Mutation(s): 0 Gene Names: FABP5 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q01469 (Homo sapiens) Explore Q01469 Go to UniProtKB: Q01469 | |||||
PHAROS: Q01469 GTEx: ENSG00000164687 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q01469 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 5M7 (Subject of Investigation/LOI) Query on 5M7 | D [auth A], E [auth A] | 6-chloranyl-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid C21 H19 Cl N2 O2 URBVMCHIBNRDKB-UHFFFAOYSA-N |  | ||
| PEG Query on PEG | F [auth A] | DI(HYDROXYETHYL)ETHER C4 H10 O3 MTHSVFCYNBDYFN-UHFFFAOYSA-N |  | ||
| SO4 Query on SO4 | C [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| DMS Query on DMS | B [auth A] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.17 Å
- R-Value Free: 0.171
- R-Value Work: 0.154
- R-Value Observed: 0.155
- Space Group: P 43 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 62.444 | α = 90 |
| b = 62.444 | β = 90 |
| c = 74.999 | γ = 90 |
| Software Name | Purpose |
|---|---|
| XSCALE | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2023-06-14 Deposition Author(s): Ehler, A., Benz, J., Obst, U., Ceccarelli-Simona, M., Rudolph, M.G.
| Funding Organization | Location | Grant Number |
|---|---|---|
| F. Hoffmann-La Roche LTD | Switzerland | -- |
Revision History (Full details and data files)
- Version 1.0: 2023-06-14
Type: Initial release - Version 1.1: 2024-04-03
Changes: Data collection, Refinement description - Version 1.2: 2024-11-06
Changes: Structure summary - Version 1.3: 2024-11-20
Changes: Structure summary
