Download MendeleyCrystal Structure of a human FABP5 complex
Obst, U., Magnone, C., Kuhn, B., Rudolph, M.G.To be published.
7FWI
Crystal Structure of human FABP5 in complex with 2-(indole-1-carbonylamino)benzoic acid, i.e. SMILES c12N(C(=O)Nc3c(cccc3)C(=O)O)C=Cc1cccc2 with IC50=18.1696 microM
- PDB DOI: https://doi.org/10.2210/pdb7FWI/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: 2.00 ?
- R-Value Free: 0.273
- R-Value Work: 0.227
- R-Value Observed: 0.230
Starting Model: other
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This is version 1.2 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 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NC0 (Subject of Investigation/LOI) Query on NC0 | D [auth A], G [auth C] | 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid C16 H14 N2 O3 SEVISWFLUIXPLQ-UHFFFAOYSA-N |  | ||
| CL Query on CL | E [auth A], F [auth B], H [auth C] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 ?
- R-Value Free: 0.273
- R-Value Work: 0.227
- R-Value Observed: 0.230
- Space Group: P 1 21 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 54.431 | ¦Á = 90 |
| b = 38.443 | ¦Â = 100.6 |
| c = 80.32 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| XSCALE | data scaling |
| PHENIX | 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., Ning, R., 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: 2024-11-20
Changes: Structure summary
