Download MendeleyCrystal structure of Dioclea sclerocarpa lectin complexed with X-man
Barroso-Neto, I.L., Teixeira, C.S., Correia, J.L.A., Santiago, M.Q., Pinto-Junior, V.R., Osterne, V.J.S., Plinio, D., Rocha, B.A.M., Cavada, B.S.To be published.
4NOT | pdb_00004not
Crystal structure of Dioclea sclerocarpa lectin complexed with X-man
- PDB DOI: https://doi.org/10.2210/pdb4NOT/pdb
- Classification: SUGAR BINDING PROTEIN
- Organism(s): Macropsychanthus sclerocarpus
- Mutation(s): No
- Deposited: 2013-11-20 Released: 2015-01-21
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.35 Å
- R-Value Free: 0.257 (Depositor), 0.240 (DCC)
- R-Value Work: 0.209 (Depositor), 0.210 (DCC)
- R-Value Observed: 0.211 (Depositor)
This is version 1.3 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 |
| Lectin alpha chain | 237 | Macropsychanthus sclerocarpus | Mutation(s): 0 |  | |
UniProt | |||||
Find proteins for B3EWJ2 (Macropsychanthus sclerocarpus) Explore B3EWJ2 Go to UniProtKB: B3EWJ2 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | B3EWJ2 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| XMM Query on XMM | D [auth A] | 5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside C14 H15 Br Cl N O6 OPIFSICVWOWJMJ-HAAGFXOZSA-N |  | ||
| MN Query on MN | B [auth A] | MANGANESE (II) ION Mn WAEMQWOKJMHJLA-UHFFFAOYSA-N |  | ||
| CA Query on CA | C [auth A] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.35 Å
- R-Value Free: 0.257 (Depositor), 0.240 (DCC)
- R-Value Work: 0.209 (Depositor), 0.210 (DCC)
- R-Value Observed: 0.211 (Depositor)
Space Group: I 2 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 64.94 | α = 90 |
| b = 66.61 | β = 90 |
| c = 108.65 | γ = 90 |
| Software Name | Purpose |
|---|---|
| MOSFLM | data reduction |
| SCALA | data scaling |
| PHASER | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| Blu-Ice | data collection |
| MAR345 | data collection |
Entry History
Deposition Data
- Released Date: 2015-01-21 Deposition Author(s): Barroso-Neto, I.L., Teixeira, C.S., Correia, J.L.A., Santiago, M.Q., Pinto-Junior, V.R., Osterne, V.J.S., Plinio, D., Rocha, B.A.M., Cavada, B.S.
Revision History (Full details and data files)
- Version 1.0: 2015-01-21
Type: Initial release - Version 1.1: 2017-11-22
Changes: Refinement description - Version 1.2: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Derived calculations, Structure summary - Version 1.3: 2024-02-28
Changes: Data collection, Database references, Structure summary
