PanDDA analysis group deposition
Godoy, A.S., Mesquita, N.C.M.R., Oliva, G.To be published.
Experimental Data Snapshot
Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
NS3 Helicase | 435 | Zika virus | Mutation(s): 0  EC: 3.4.21.91 (PDB Primary Data), 3.6.1.15 (PDB Primary Data), 3.6.4.13 (PDB Primary Data) | ||
UniProt | |||||
Find proteins for Q32ZE1 (Zika virus) Explore Q32ZE1  Go to UniProtKB:  Q32ZE1 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q32ZE1 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 4 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
UQV (Subject of Investigation/LOI) Query on UQV | F [auth A] | [2-(acetylamino)phenyl]acetic acid C10 H11 N O3 BOEMFEOUVXWWNZ-UHFFFAOYSA-N | |||
MPD Query on MPD | E [auth A] | (4S)-2-METHYL-2,4-PENTANEDIOL C6 H14 O2 SVTBMSDMJJWYQN-YFKPBYRVSA-N | |||
PO4 Query on PO4 | C [auth A], D [auth A] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K | |||
EDO Query on EDO | B [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 53.59 | α = 90 |
b = 69.33 | β = 92.12 |
c = 57.08 | γ = 90 |
Software Name | Purpose |
---|---|
REFMAC | refinement |
Aimless | data scaling |
PDB_EXTRACT | data extraction |
XDS | data reduction |
REFMAC | phasing |
Funding Organization | Location | Grant Number |
---|---|---|
Sao Paulo Research Foundation (FAPESP) | Brazil | 2013/07600-3 |