Download MendeleyValidating PR-104A binding to AKR1C3
Squire, C.J., Yosaatmadja, Y., Park, S., Ko, W., Guise, C., Smaill, J., Patterson, A., Flanagan, J.U.To be published.
4DZ5
W227F active site mutant of AKR1C3
- PDB DOI: https://doi.org/10.2210/pdb4DZ5/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2012-02-29 Released: 2013-03-06
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.70 Å
- R-Value Free: 0.194
- R-Value Work: 0.175
- R-Value Observed: 0.176
Starting Model: experimental
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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 |
| Aldo-keto reductase family 1 member C3 | 331 | Homo sapiens | Mutation(s): 1 Gene Names: AKR1C3, DDH1, HSD17B5, KIAA0119, PGFS EC: 1 (PDB Primary Data), 1.1.1.213 (PDB Primary Data), 1.1.1.112 (PDB Primary Data), 1.1.1.188 (PDB Primary Data), 1.1.1.63 (PDB Primary Data), 1.1.1.64 (PDB Primary Data), 1.3.1.20 (PDB Primary Data), 1.1.1.53 (UniProt), 1.1.1.62 (UniProt), 1.1.1.357 (UniProt), 1.1.1.239 (UniProt), 1.1.1 (UniProt), 1.1.1.210 (UniProt) |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P42330 (Homo sapiens) Explore P42330 Go to UniProtKB: P42330 | |||||
PHAROS: P42330 GTEx: ENSG00000196139 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P42330 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 4 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 |  | ||
| PG4 Query on PG4 | F [auth A] | TETRAETHYLENE GLYCOL C8 H18 O5 UWHCKJMYHZGTIT-UHFFFAOYSA-N |  | ||
| EDO Query on EDO | C [auth A], D [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
| ACT Query on ACT | E [auth A] | ACETATE ION C2 H3 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.70 Å
- R-Value Free: 0.194
- R-Value Work: 0.175
- R-Value Observed: 0.176
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 58.084 | α = 90 |
| b = 64.114 | β = 90 |
| c = 97.264 | γ = 90 |
| Software Name | Purpose |
|---|---|
| Blu-Ice | data collection |
| PHASER | phasing |
| REFMAC | refinement |
| XDS | data reduction |
| SCALA | data scaling |
Entry History
Deposition Data
- Released Date: 2013-03-06 Deposition Author(s): Squire, C.J., Yosaatmadja, Y., Flanagan, J.U.
Revision History (Full details and data files)
- Version 1.0: 2013-03-06
Type: Initial release - Version 1.1: 2023-09-13
Changes: Data collection, Database references, Derived calculations, Refinement description
