1OUR
LecB (PA-LII) in complex with mannose
- PDB DOI: https://doi.org/10.2210/pdb1OUR/pdb
- Classification: SUGAR BINDING PROTEIN
- Organism(s): Pseudomonas aeruginosa
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2003-03-25 Released: 2003-09-09
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.42 Å
- R-Value Free: 0.197
- R-Value Work: 0.182
- R-Value Observed: 0.183
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 |
| hypothetical protein LecB | 114 | Pseudomonas aeruginosa | Mutation(s): 0 Gene Names: LecB |  | |
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 | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MAN Query on MAN | B [auth A] | alpha-D-mannopyranose C6 H12 O6 WQZGKKKJIJFFOK-PQMKYFCFSA-N |  | ||
| CA Query on CA | C [auth A], D [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.42 Å
- R-Value Free: 0.197
- R-Value Work: 0.182
- R-Value Observed: 0.183
- Space Group: I 2 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 52.777 | α = 90 |
| b = 69.184 | β = 90 |
| c = 74.031 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| AMoRE | phasing |
| CNS | refinement |
Entry History
Deposition Data
- Released Date: 2003-09-09 Deposition Author(s): Loris, R., Tielker, D., Jaeger, K.-E., Wyns, L.
Revision History (Full details and data files)
- Version 1.0: 2003-09-09
Type: Initial release - Version 1.1: 2008-04-29
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: Advisory, Data collection, Derived calculations, Structure summary - Version 1.4: 2024-03-13
Changes: Data collection, Database references, Structure summary
