1S5F
Cholera holotoxin, Crystal form 2
- PDB DOI: https://doi.org/10.2210/pdb1S5F/pdb
- Classification: TRANSFERASE,TOXIN
- Organism(s): Vibrio cholerae
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No 
- Deposited: 2004-01-20 Released: 2004-04-06 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.60 Å
- R-Value Free: 0.260 
- R-Value Work: 0.213 
- R-Value Observed: 0.216 
This is version 1.4 of the entry. See complete history. 
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Cholera enterotoxin, A chain | 240 | Vibrio cholerae | Mutation(s): 0  Gene Names: CTXA, TOXA, VC1457 EC: 2.4.2.36 | ||
UniProt | |||||
Find proteins for P01555 (Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)) Explore P01555  Go to UniProtKB:  P01555 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P01555 | ||||
Sequence AnnotationsExpand | |||||
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Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
cholera toxin B protein (CTB) | B [auth D], C [auth E], D [auth F], E [auth G], F [auth H] | 103 | Vibrio cholerae | Mutation(s): 0  Gene Names: CTXB, TOXB, VC1456 | |
UniProt | |||||
Find proteins for P01556 (Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)) Explore P01556  Go to UniProtKB:  P01556 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P01556 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
Ligands 2 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
GAL Query on GAL | H [auth D], I [auth E], J [auth F], K [auth G], L [auth H] | beta-D-galactopyranose C6 H12 O6 WQZGKKKJIJFFOK-FPRJBGLDSA-N | |||
NA Query on NA | G [auth A] | SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.60 Å
- R-Value Free: 0.260 
- R-Value Work: 0.213 
- R-Value Observed: 0.216 
- Space Group: P 21 21 21
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 60.157 | α = 90 |
b = 110.97 | β = 90 |
c = 123.554 | γ = 90 |
Software Name | Purpose |
---|---|
REFMAC | refinement |
HKL-2000 | data reduction |
SCALEPACK | data scaling |
MOLREP | phasing |
Entry History 
Deposition Data
- Released Date: 2004-04-06  Deposition Author(s): O'Neal, C.J., Amaya, E.I., Jobling, M.G., Holmes, R.K., Hol, W.G.
Revision History (Full details and data files)
- Version 1.0: 2004-04-06
Type: Initial release - Version 1.1: 2008-04-29
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Derived calculations, Version format compliance - Version 1.3: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary - Version 1.4: 2023-08-23
Changes: Data collection, Database references, Refinement description, Structure summary