Download MendeleyCrystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5-dichlorosalicylic acid
Dhagat, U., Hara, A., El-Kabbani, O.To be published.
3GUG
Crystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5-dichlorosalicylic acid
- PDB DOI: https://doi.org/10.2210/pdb3GUG/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2009-03-30 Released: 2010-02-09
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.260
- R-Value Work: 0.190
- R-Value Observed: 0.194
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 |
| Aldo-keto reductase family 1 member C1 | 323 | Homo sapiens | Mutation(s): 1 Gene Names: AKR1C1, DDH, DDH1 EC: 1.1.1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q04828 (Homo sapiens) Explore Q04828 Go to UniProtKB: Q04828 | |||||
PHAROS: Q04828 GTEx: ENSG00000187134 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q04828 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 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 |  | ||
| C2U Query on C2U | C [auth A] | 3,5-dichloro-2-hydroxybenzoic acid C7 H4 Cl2 O3 CNJGWCQEGROXEE-UHFFFAOYSA-N |  | ||
| ZN Query on ZN | D [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.260
- R-Value Work: 0.190
- R-Value Observed: 0.194
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 39.412 | α = 90 |
| b = 83.885 | β = 90.98 |
| c = 48.914 | γ = 90 |
| Software Name | Purpose |
|---|---|
| HKL-2000 | data collection |
| MOLREP | phasing |
| REFMAC | refinement |
| HKL-2000 | data reduction |
| SCALEPACK | data scaling |
Entry History
Deposition Data
- Released Date: 2010-02-09 Deposition Author(s): Dhagat, U., El-Kabbani, O.
Revision History (Full details and data files)
- Version 1.0: 2010-02-09
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2021-11-10
Changes: Database references, Derived calculations - Version 1.3: 2023-11-01
Changes: Data collection, Refinement description
