Boron mimetics: 1,2-dihydro-1,2-azaborines bind inside a nonpolar cavity of T4 lysozyme.
Liu, L., Marwitz, A.J., Matthews, B.W., Liu, S.Y.(2009) Angew Chem Int Ed Engl 48: 6817-6819
Experimental Data Snapshot
Starting Model: experimental
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(2009) Angew Chem Int Ed Engl 48: 6817-6819
Entity ID: 1 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
Lysozyme | 164 | Tequatrovirus T4 | Mutation(s): 3  Gene Names: E EC: 3.2.1.17 | ||
UniProt | |||||
Find proteins for P00720 (Enterobacteria phage T4) Explore P00720  Go to UniProtKB:  P00720 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P00720 | ||||
Sequence AnnotationsExpand | |||||
|
Ligands 3 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
HED Query on HED | B [auth A], C [auth A] | 2-HYDROXYETHYL DISULFIDE C4 H10 O2 S2 KYNFOMQIXZUKRK-UHFFFAOYSA-N | |||
PO4 Query on PO4 | D [auth A] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K | |||
BNZ Query on BNZ | E [auth A] | BENZENE C6 H6 UHOVQNZJYSORNB-UHFFFAOYSA-N |
Length ( ? ) | Angle ( ? ) |
---|---|
a = 60 | ¦Á = 90 |
b = 60 | ¦Â = 90 |
c = 95.65 | ¦Ă = 120 |
Software Name | Purpose |
---|---|
Blu-Ice | data collection |
AMoRE | phasing |
REFMAC | refinement |
HKL-2000 | data reduction |
HKL-2000 | data scaling |