2ARE
Pterocarpus angolensis Lectin (PAL) In Complex With D-Mannose (anomeric mixture)
- PDB DOI: https://doi.org/10.2210/pdb2ARE/pdb
- Classification: SUGAR BINDING PROTEIN
- Organism(s): Pterocarpus angolensis
- Mutation(s): No
- Deposited: 2005-08-19 Released: 2006-08-01
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.204
- R-Value Work: 0.170
- R-Value Observed: 0.172
This is version 1.5 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 |
| lectin | 252 | Pterocarpus angolensis | Mutation(s): 0 |  | |
UniProt | |||||
Find proteins for Q8GSD2 (Pterocarpus angolensis) Explore Q8GSD2 Go to UniProtKB: Q8GSD2 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q8GSD2 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MAN Query on MAN | C [auth A], F [auth B] | alpha-D-mannopyranose C6 H12 O6 WQZGKKKJIJFFOK-PQMKYFCFSA-N |  | ||
| MN Query on MN | D [auth A], G [auth B] | MANGANESE (II) ION Mn WAEMQWOKJMHJLA-UHFFFAOYSA-N |  | ||
| CA Query on CA | E [auth A], H [auth B] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.204
- R-Value Work: 0.170
- R-Value Observed: 0.172
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 56.731 | α = 90 |
| b = 83.361 | β = 90 |
| c = 122.938 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALA | data scaling |
| PHASER | phasing |
| CNS | refinement |
| CCP4 | data scaling |
Entry History
Deposition Data
- Released Date: 2006-08-01 Deposition Author(s): Buts, L., Garcia-Pino, A., Imberty, A., Amiot, N., Boons, G.-J., Versees, W., Lah, J., Beeckmans, S., Wyns, L., Loris, R.
Revision History (Full details and data files)
- Version 1.0: 2006-08-01
Type: Initial release - Version 1.1: 2007-10-16
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2012-02-22
Changes: Database references - Version 1.4: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Data collection, Derived calculations, Structure summary - Version 1.5: 2023-08-23
Changes: Data collection, Database references, Refinement description, Structure summary
