1WHS
STRUCTURE OF THE COMPLEX OF L-BENZYLSUCCINATE WITH WHEAT SERINE CARBOXYPEPTIDASE II AT 2.0 ANGSTROMS RESOLUTION
- PDB DOI: https://doi.org/10.2210/pdb1WHS/pdb
- Classification: SERINE CARBOXYPEPTIDASE
- Organism(s): Triticum aestivum
- Mutation(s): No 
- Deposited: 1994-03-07 Released: 1994-06-22 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Observed: 0.175 
wwPDB Validation   3D Report Full Report
This is version 2.0 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 |
SERINE CARBOXYPEPTIDASE II | 255 | Triticum aestivum | Mutation(s): 0  EC: 3.4.16.1 | ||
UniProt | |||||
Find proteins for P08819 (Triticum aestivum) Explore P08819  Go to UniProtKB:  P08819 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P08819 | ||||
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 |
SERINE CARBOXYPEPTIDASE II | 153 | Triticum aestivum | Mutation(s): 0  EC: 3.4.16.1 | ||
UniProt | |||||
Find proteins for P08819 (Triticum aestivum) Explore P08819  Go to UniProtKB:  P08819 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P08819 | ||||
Sequence AnnotationsExpand | |||||
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Oligosaccharides
Small Molecules
Ligands 3 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
NAG Query on NAG | E [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N | |||
GOL Query on GOL | F [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N | |||
ACY Query on ACY | G [auth A], H [auth B] | ACETIC ACID C2 H4 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-N |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Observed: 0.175 
- Space Group: P 41 21 2
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 95.6 | α = 90 |
b = 95.6 | β = 90 |
c = 208.8 | γ = 90 |
Software Name | Purpose |
---|---|
TNT | refinement |
Entry History 
Deposition Data
- Released Date: 1994-06-22  Deposition Author(s): Bullock, T.L., Remington, S.J.
Revision History (Full details and data files)
- Version 1.0: 1994-06-22
Type: Initial release - Version 1.1: 2008-03-03
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Non-polymer description, Version format compliance - Version 1.3: 2017-11-29
Changes: Advisory, Derived calculations, Other - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Atomic model, Data collection, Derived calculations, Structure summary