THERMOLYSIN IN COMPLEX WITH FRAGMENT J77
Magari, F., Heine, A., Klebe, G.To be published.
Experimental Data Snapshot
Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Thermolysin | A [auth E] | 316 | Bacillus thermoproteolyticus | Mutation(s): 0  EC: 3.4.24.27 | |
UniProt | |||||
Find proteins for P00800 (Bacillus thermoproteolyticus) Explore P00800  Go to UniProtKB:  P00800 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P00800 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 5 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
DAR (Subject of Investigation/LOI) Query on DAR | N [auth E] | D-ARGININE C6 H15 N4 O2 ODKSFYDXXFIFQN-SCSAIBSYSA-O | |||
TRS Query on TRS | G [auth E] | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL C4 H12 N O3 LENZDBCJOHFCAS-UHFFFAOYSA-O | |||
DMS Query on DMS | H [auth E] I [auth E] J [auth E] K [auth E] L [auth E] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N | |||
ZN Query on ZN | F [auth E] | ZINC ION Zn PTFCDOFLOPIGGS-UHFFFAOYSA-N | |||
CA Query on CA | B [auth E], C [auth E], D [auth E], E | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 92.79 | α = 90 |
b = 92.79 | β = 90 |
c = 129.452 | γ = 120 |
Software Name | Purpose |
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PHENIX | refinement |
MxCuBE | data collection |
XDS | data scaling |
XDS | data reduction |
PHASER | phasing |