Metal-Mediated Protein-Cucurbituril Crystalline Architectures
Guagnini, F., Engilberge, S., Flood, R.J., Ramberg, K.O., Crowley, P.B.(2020) Cryst Growth Des
Experimental Data Snapshot
Starting Model: experimental
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(2020) Cryst Growth Des
Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Fucose-binding lectin protein | 90 | Ralstonia solanacearum | Mutation(s): 0 Gene Names: E7Z57_08365, RSP795_21825, RSP822_19650, RUN39_v1_50103 | ||
UniProt | |||||
Find proteins for A0A0S4TLR1 (Ralstonia solanacearum) Explore A0A0S4TLR1 Go to UniProtKB: A0A0S4TLR1 | |||||
Entity Groups | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | A0A0S4TLR1 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 4 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
QQ7 (Subject of Investigation/LOI) Query on QQ7 | BA [auth F] G [auth A] L [auth B] O [auth C] T [auth D] | cucurbit[7]uril C42 H42 N28 O14 ZDOBFUIMGBWEAB-XGFHMVPTSA-N | |||
GOL Query on GOL | AA [auth E] CA [auth F] DA [auth F] H [auth A] I [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N | |||
ZN (Subject of Investigation/LOI) Query on ZN | J [auth A], K [auth A] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N | |||
NA Query on NA | R [auth C], S [auth C], U [auth D], X [auth D] | SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N |
Modified Residues 1 Unique | |||||
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ID | Chains | Type | Formula | 2D Diagram | Parent |
MLY Query on MLY | A, B, C, D, E | L-PEPTIDE LINKING | C8 H18 N2 O2 | LYS |
Length ( Å ) | Angle ( ˚ ) |
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a = 50.358 | α = 84.17 |
b = 50.356 | β = 82.46 |
c = 71.513 | γ = 60.04 |
Software Name | Purpose |
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PHENIX | refinement |
Aimless | data scaling |
PDB_EXTRACT | data extraction |
XDS | data reduction |
PHASER | phasing |
Funding Organization | Location | Grant Number |
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Science Foundation Ireland | Ireland | 13/CDA/2168 |
Science Foundation Ireland | Ireland | 12/RC/2275_P2 |
Irish Research Council | Ireland | GOIPD/2019/513 |