6FX1
Crystal structure of Pholiota squarrosa lectin in complex with an octasaccharide
- PDB DOI: https://doi.org/10.2210/pdb6FX1/pdb
- Classification: SUGAR BINDING PROTEIN
- Organism(s): Pholiota squarrosa
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No 
- Deposited: 2018-03-08 Released: 2018-07-11 
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.219 
- R-Value Work: 0.184 
- R-Value Observed: 0.186 
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 |
lectin | 43 | Pholiota squarrosa | Mutation(s): 0  | ||
UniProt | |||||
Find proteins for A0A3B6UEU4 (Pholiota squarrosa) Explore A0A3B6UEU4  Go to UniProtKB:  A0A3B6UEU4 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | A0A3B6UEU4 | ||||
Sequence AnnotationsExpand | |||||
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Oligosaccharides
Entity ID: 2 | |||||
---|---|---|---|---|---|
Molecule | Chains | Length | 2D Diagram | Glycosylation | 3D Interactions |
2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine | M, O, R, X | 6 | N/A | N/A | |
Glycosylation Resources | |||||
GlyTouCan:  G53233QZ GlyCosmos:  G53233QZ |
Entity ID: 3 | |||||
---|---|---|---|---|---|
Molecule | Chains | Length | 2D Diagram | Glycosylation | 3D Interactions |
2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine | N, U | 8 | N/A | N/A | |
Glycosylation Resources | |||||
GlyTouCan:  G12228DK GlyCosmos:  G12228DK |
Entity ID: 4 | |||||
---|---|---|---|---|---|
Molecule | Chains | Length | 2D Diagram | Glycosylation | 3D Interactions |
alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine | P | 5 | N/A | N/A | |
Glycosylation Resources | |||||
GlyTouCan:  G15526KS GlyCosmos:  G15526KS |
Entity ID: 5 | |||||
---|---|---|---|---|---|
Molecule | Chains | Length | 2D Diagram | Glycosylation | 3D Interactions |
2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]1-azido-beta-N-acetyl-D-glucosamine | Q, S | 7 | N/A | N/A | |
Glycosylation Resources | |||||
GlyTouCan:  G70122IR GlyCosmos:  G70122IR |
Small Molecules
Ligands 2 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
OOA Query on OOA | Z [auth A] | 3-OXOOCTANOIC ACID C8 H14 O3 FWNRRWJFOZIGQZ-UHFFFAOYSA-N | |||
MLI Query on MLI | AA [auth B] BA [auth C] CA [auth D] DA [auth D] EA [auth D] | MALONATE ION C3 H2 O4 OFOBLEOULBTSOW-UHFFFAOYSA-L |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 Å
- R-Value Free: 0.219 
- R-Value Work: 0.184 
- R-Value Observed: 0.186 
- Space Group: P 21 2 21
Unit Cell:
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 91 | α = 90 |
b = 95.593 | β = 90 |
c = 110.633 | γ = 90 |
Software Name | Purpose |
---|---|
REFMAC | refinement |
XDS | data reduction |
Aimless | data scaling |
PHASER | phasing |
Entry History 
Deposition Data
- Released Date: 2018-07-11  Deposition Author(s): Cabanettes, A., Varrot, A.
Revision History (Full details and data files)
- Version 1.0: 2018-07-11
Type: Initial release - Version 1.1: 2018-07-18
Changes: Data collection, Structure summary - Version 1.2: 2018-08-29
Changes: Data collection, Database references - Version 2.0: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Advisory, Atomic model, Data collection, Derived calculations, Structure summary