Download MendeleyCrystal structure of AcMNPV Chitinase A
Mou, T.-C., Sprang, S.R.To be published.
5DF0
Crystal structure of AcMNPV Chitinase A in complex WITH CHITOTRIO-THIAZOLINE DITHIOAMIDE
- PDB DOI: https://doi.org/10.2210/pdb5DF0/pdb
- Classification: HYDROLASE
- Organism(s): Autographa californica nucleopolyhedrovirus
- Expression System: Alphabaculovirus
- Mutation(s): No
- Deposited: 2015-08-26 Released: 2016-09-07
- Funding Organization(s): National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 3.25 ?
- R-Value Free: 0.286
- R-Value Work: 0.226
- R-Value Observed: 0.232
Starting Model: experimental
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This is version 1.5 of the entry. See complete history.
Literature
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Ac-ChiA | 545 | Autographa californica nucleopolyhedrovirus | Mutation(s): 0 Gene Names: ChiA, Ac-ChiA EC: 3.2.1.14 |  | |
UniProt | |||||
Find proteins for Q70SQ1 (Autographa californica nuclear polyhedrosis virus) Explore Q70SQ1 Go to UniProtKB: Q70SQ1 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q70SQ1 | ||||
Glycosylation | |||||
| Glycosylation Sites: 1 | |||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 5 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SN5 Query on SN5 | F [auth A], O [auth B] | 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose C8 H15 N O5 S BIHKKHHUWVSGSD-FMDGEEDCSA-N |  | ||
| 58Y Query on 58Y | G [auth A], P [auth B] | (2R,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methylhexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol C8 H15 N O4 S XWPUWEBFKDEDIF-CVBHLRHXSA-N |  | ||
| NAG Query on NAG | C [auth A] D [auth A] E [auth A] L [auth B] M [auth B] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N |  | ||
| SO4 Query on SO4 | I [auth A], J [auth A], K [auth A], Q [auth B], R [auth B] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| CL Query on CL | H [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 3.25 ?
- R-Value Free: 0.286
- R-Value Work: 0.226
- R-Value Observed: 0.232
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 96.712 | ¦Á = 90 |
| b = 112.766 | ¦Â = 90 |
| c = 129.591 | ¦Ã = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHENIX | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2016-09-07 Deposition Author(s): Mou, T.-C., Sprang, S.R.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | United States | P20GM103546 |
Revision History (Full details and data files)
- Version 1.0: 2016-09-07
Type: Initial release - Version 1.1: 2017-09-20
Changes: Author supporting evidence, Derived calculations - Version 1.2: 2019-12-25
Changes: Author supporting evidence - Version 1.3: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Derived calculations, Structure summary - Version 1.4: 2023-09-27
Changes: Data collection, Database references, Refinement description, Structure summary - Version 1.5: 2024-11-20
Changes: Structure summary
