4GA8
Human AKR1B10 mutant V301L complexed with NADP+ and sorbinil
- PDB DOI: https://doi.org/10.2210/pdb4GA8/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2012-07-25 Released: 2013-08-07
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.94 Å
- R-Value Free: 0.206
- R-Value Work: 0.151
- R-Value Observed: 0.154
Starting Model: experimental
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This is version 1.2 of the entry. See complete history.
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 B10 | 316 | Homo sapiens | Mutation(s): 1 Gene Names: AKR1B10, AKR1B11 EC: 1.1.1 (PDB Primary Data), 1.1.1.300 (UniProt), 1.1.1.54 (UniProt) |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for O60218 (Homo sapiens) Explore O60218 Go to UniProtKB: O60218 | |||||
PHAROS: O60218 GTEx: ENSG00000198074 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O60218 | ||||
Sequence AnnotationsExpand | |||||
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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 |  | ||
| SBI Query on SBI | C [auth A] | SORBINIL C11 H9 F N2 O3 LXANPKRCLVQAOG-NSHDSACASA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.94 Å
- R-Value Free: 0.206
- R-Value Work: 0.151
- R-Value Observed: 0.154
- Space Group: P 61
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 89.3 | α = 90 |
| b = 89.3 | β = 90 |
| c = 78.155 | γ = 120 |
| Software Name | Purpose |
|---|---|
| SCALEPACK | data scaling |
| AMoRE | phasing |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| HKL-2000 | data collection |
| DENZO | data reduction |
Entry History
Deposition Data
- Released Date: 2013-08-07 Deposition Author(s): Cousido-Siah, A., Ruiz Figueras, F.X., Mitschler, A., Podjarny, A.
Revision History (Full details and data files)
- Version 1.0: 2013-08-07
Type: Initial release - Version 1.1: 2017-11-15
Changes: Refinement description - Version 1.2: 2023-09-13
Changes: Data collection, Database references, Derived calculations, Refinement description
