Download MendeleyComplex of Aldose Reductase with inhibitor IDD 1219
Podjarny, A.D., Van Zandt, M., Geraci, L.S.To be published.
4GCA
Complex of Aldose Reductase with inhibitor IDD 1219
- PDB DOI: https://doi.org/10.2210/pdb4GCA/pdb
- Classification: OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2012-07-30 Released: 2013-07-31
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 0.90 Å
- R-Value Free: 0.145
- R-Value Work: 0.134
- R-Value Observed: 0.134
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 |
| Aldose reductase | 315 | Homo sapiens | Mutation(s): 0 Gene Names: AKR1B1, ALDR1 EC: 1.1.1.21 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P15121 (Homo sapiens) Explore P15121 Go to UniProtKB: P15121 | |||||
PHAROS: P15121 GTEx: ENSG00000085662 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P15121 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAP Query on NAP | B [auth A] | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE C21 H28 N7 O17 P3 XJLXINKUBYWONI-NNYOXOHSSA-N |  | ||
| 2X9 Query on 2X9 | C [auth A] | {2,6-dimethyl-5-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]pyridin-3-yl}acetic acid C17 H13 F3 N2 O2 S SGWFOCMKXJYHKO-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 0.90 Å
- R-Value Free: 0.145
- R-Value Work: 0.134
- R-Value Observed: 0.134
- Space Group: P 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 47.102 | α = 67.83 |
| b = 47.218 | β = 76.96 |
| c = 39.953 | γ = 76.15 |
| Software Name | Purpose |
|---|---|
| SCALEPACK | data scaling |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data collection |
| HKL-2000 | data reduction |
| AMoRE | phasing |
Entry History
Deposition Data
- Released Date: 2013-07-31 Deposition Author(s): Podjarny, A.D., Van Zandt, M., Geraci, L.S.
Revision History (Full details and data files)
- Version 1.0: 2013-07-31
Type: Initial release - Version 1.1: 2024-02-28
Changes: Data collection, Database references, Derived calculations
