Download MendeleyThe crystal structure of a short-chain dehydrogenases/reductase (wide type) from Veillonella parvula DSM 2008 in complex with NADP.
Tan, K., Hatzos-Skintges, C., Clancy, S., Joachimiak, A.To be published.
4HNH
The crystal structure of a short-chain dehydrogenases/reductase (wide type) from Veillonella parvula DSM 2008 in complex with NADP
- PDB DOI: https://doi.org/10.2210/pdb4HNH/pdb
- Classification: ISOMERASE
- Organism(s): Veillonella parvula DSM 2008
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2012-10-19 Released: 2012-10-31
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.58 Å
- R-Value Free: 0.203
- R-Value Work: 0.175
- R-Value Observed: 0.176
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 |
| NAD-dependent epimerase/dehydratase | 221 | Veillonella parvula DSM 2008 | Mutation(s): 0 Gene Names: Vpar_0111 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 5 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAP Query on NAP | C [auth A], K [auth B] | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE C21 H28 N7 O17 P3 XJLXINKUBYWONI-NNYOXOHSSA-N |  | ||
| TEA Query on TEA | J [auth B] | TRIETHYLAMMONIUM ION C6 H16 N ZMANZCXQSJIPKH-UHFFFAOYSA-O |  | ||
| GOL Query on GOL | E [auth A], F [auth A], G [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| FMT Query on FMT | H [auth A], I [auth A], M [auth B] | FORMIC ACID C H2 O2 BDAGIHXWWSANSR-UHFFFAOYSA-N |  | ||
| CL Query on CL | D [auth A], L [auth B] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.58 Å
- R-Value Free: 0.203
- R-Value Work: 0.175
- R-Value Observed: 0.176
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 109.219 | α = 90 |
| b = 71.687 | β = 121.44 |
| c = 65.016 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SBC-Collect | data collection |
| MOLREP | phasing |
| PHENIX | refinement |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
Entry History
Deposition Data
- Released Date: 2012-10-31 Deposition Author(s): Tan, K., Hatzos-Skintges, C., Clancy, S., Joachimiak, A., Midwest Center for Structural Genomics (MCSG)
Revision History (Full details and data files)
- Version 1.0: 2012-10-31
Type: Initial release - Version 1.1: 2012-11-07
Changes: Data collection - Version 1.2: 2023-09-20
Changes: Data collection, Database references, Derived calculations, Refinement description
