2JDP
Mutant (S23A) of Pseudomonas aeruginosa lectin II (PA-IIL) complexed with methyl-a-L-fucopyranoside
- PDB DOI: https://doi.org/10.2210/pdb2JDP/pdb
- Classification: LECTIN
- Organism(s): Pseudomonas aeruginosa
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2007-01-11 Released: 2007-06-12
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.30 Å
- R-Value Free: 0.197
- R-Value Work: 0.169
- R-Value Observed: 0.171
wwPDB Validation 3D Report Full Report
This is version 1.4 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 |
| FUCOSE-BINDING LECTIN PA-IIL | 115 | Pseudomonas aeruginosa | Mutation(s): 1 |  | |
UniProt | |||||
Find proteins for Q9HYN5 (Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1)) Explore Q9HYN5 Go to UniProtKB: Q9HYN5 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9HYN5 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MFU Query on MFU | E [auth A], H [auth B], K [auth C], N [auth D] | methyl alpha-L-fucopyranoside C7 H14 O5 OHWCAVRRXKJCRB-CXNFULCWSA-N |  | ||
| CA Query on CA | F [auth A] G [auth A] I [auth B] J [auth B] L [auth C] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.30 Å
- R-Value Free: 0.197
- R-Value Work: 0.169
- R-Value Observed: 0.171
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 95.062 | α = 90 |
| b = 45.69 | β = 94.21 |
| c = 87.952 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| MOSFLM | data reduction |
| SCALA | data scaling |
| MOLREP | phasing |
Entry History
Deposition Data
- Released Date: 2007-06-12 Deposition Author(s): Adam, J., Pokorna, M., Sabin, C., Mitchell, E.P., Imberty, A., Wimmerova, M.
Revision History (Full details and data files)
- Version 1.0: 2007-06-12
Type: Initial release - Version 1.1: 2011-05-08
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary - Version 1.4: 2023-12-13
Changes: Data collection, Database references, Refinement description, Structure summary
