Download MendeleyCrystal structure of Calotropain FI from Calotropis gigantea
Kumar, A., Jamdar, S.N., Srivastava, G., Makde, R.D.To be published.
8JCQ
Crystal structure of calotropain FI from Calotropis gigantea
- PDB DOI: https://doi.org/10.2210/pdb8JCQ/pdb
- Classification: HYDROLASE
- Organism(s): Calotropis gigantea
- Mutation(s): No
- Deposited: 2023-05-11 Released: 2024-05-22
- Funding Organization(s): Other government
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.25 Å
- R-Value Free: 0.184
- R-Value Work: 0.165
- R-Value Observed: 0.166
Starting Model: experimental
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This is version 2.0 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Procerain | 214 | Calotropis gigantea | Mutation(s): 0 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| E64 (Subject of Investigation/LOI) Query on E64 | B [auth A] | N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE C15 H30 N5 O5 QPQNJAXBPHVASB-QWRGUYRKSA-O |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| CME Query on CME | A | L-PEPTIDE LINKING | C5 H11 N O3 S2 |  | CYS |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.25 Å
- R-Value Free: 0.184
- R-Value Work: 0.165
- R-Value Observed: 0.166
- Space Group: C 2 2 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 68.616 | α = 90 |
| b = 121.272 | β = 90 |
| c = 61.006 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| PHENIX | phasing |
| RESOLVE | model building |
| Coot | model building |
Entry History & Funding Information
Deposition Data
- Released Date: 2024-05-22 Deposition Author(s): Kumar, A., Jamdar, S.N., Srivastava, G., Makde, R.D.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Other government | India | -- |
Revision History (Full details and data files)
- Version 1.0: 2024-05-22
Type: Initial release - Version 2.0: 2024-11-20
Type: Coordinate replacement
Reason: Sequence discrepancy
Changes: Advisory, Atomic model, Author supporting evidence, Data collection, Database references, Derived calculations, Non-polymer description, Polymer sequence, Refinement description, Structure summary
