Endothiapepsin in complex with 017
Magari, F., Heine, A., Konstantinidou, M., Sutanto, F., Haupenthal, J., Jumde, R.V., Unver, M.Y., Camacho, C.J., Hirsch, A.K.H., Doemling, A., Klebe, G.To be published.
Experimental Data Snapshot
Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Endothiapepsin | 330 | Cryphonectria parasitica | Mutation(s): 0  EC: 3.4.23.22 | ||
UniProt | |||||
Find proteins for P11838 (Cryphonectria parasitica) Explore P11838  Go to UniProtKB:  P11838 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P11838 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 4 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
KHW Query on KHW | C [auth A] | [(1~{R})-1-[1-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]butyl]diazane C12 H18 N6 RXFMIKHNJVMPGC-LLVKDONJSA-N | |||
KHZ Query on KHZ | E [auth A] | 1~{H}-1,2,3,4-tetrazol-5-ylmethyldiazane C2 H6 N6 LKTRPEVOGNHGTR-UHFFFAOYSA-N | |||
GOL Query on GOL | B [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N | |||
DMS Query on DMS | D [auth A] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N |
Length ( ? ) | Angle ( ? ) |
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a = 45.4 | ¦Á = 90 |
b = 73.269 | ¦Â = 109.75 |
c = 52.947 | ¦Ă = 90 |
Software Name | Purpose |
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PHENIX | refinement |
MxCuBE | data collection |
XDS | data scaling |
XDS | data reduction |
PHASER | phasing |