1LLR
CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0012
- PDB DOI: https://doi.org/10.2210/pdb1LLR/pdb
- Classification: TOXIN
- Organism(s): Vibrio cholerae
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2002-04-30 Released: 2002-08-14
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.46 Å
- R-Value Free: 0.191
- R-Value Work: 0.149
- R-Value Observed: 0.149
This is version 1.3 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 |
| CHOLERA TOXIN B SUBUNIT | A [auth D], B [auth E], C [auth F], D [auth G], E [auth H] | 103 | Vibrio cholerae | Mutation(s): 0 Gene Names: CTXB |  |
UniProt | |||||
Find proteins for Q57193 (Vibrio cholerae) Explore Q57193 Go to UniProtKB: Q57193 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q57193 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| FNG Query on FNG | F [auth D], H [auth E], J [auth F], L [auth G], N [auth H] | 5-aminocarbonyl-3-nitrophenyl alpha-D-galactopyranoside C13 H16 N2 O9 BYSXBFJVGIOFBO-LNSPPBFMSA-N |  | ||
| LNQ Query on LNQ | G [auth D], I [auth E], K [auth F], M [auth G], O [auth H] | 3-AMINO-4-{3-[2-(2-PROPOXY-ETHOXY)-ETHOXY]-PROPYLAMINO}-CYCLOBUT-3-ENE-1,2-DIONE C14 H24 N2 O5 ZUVPNXOKAPTNLU-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.46 Å
- R-Value Free: 0.191
- R-Value Work: 0.149
- R-Value Observed: 0.149
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 102.391 | α = 90 |
| b = 65.964 | β = 105.97 |
| c = 78.146 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| REFMAC | refinement |
Entry History
Deposition Data
- Released Date: 2002-08-14 Deposition Author(s): Merritt, E.A., Hol, W.G.J.
Revision History (Full details and data files)
- Version 1.0: 2002-08-14
Type: Initial release - Version 1.1: 2008-04-28
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
