PanDDA analysis group deposition
Newman, J.A., Aitkenhead, H., Lee, S.Y., Kupinska, K., Burgess-Brown, N., Tallon, R., Krojer, T., von Delft, F., Arrowsmith, C.H., Edwards, A., Bountra, C., Gileadi, O.To be published.
Experimental Data Snapshot
Entity ID: 1 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
DNA cross-link repair 1A protein | 343 | Homo sapiens | Mutation(s): 0 Gene Names: DCLRE1A, KIAA0086, SNM1, SNM1A EC: 3.5.2.6 | ![]() | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q6PJP8 (Homo sapiens) Explore Q6PJP8 Go to UniProtKB: Q6PJP8 | |||||
PHAROS: Q6PJP8 GTEx: ENSG00000198924 | |||||
Entity Groups | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q6PJP8 | ||||
Sequence AnnotationsExpand | |||||
|
Ligands 3 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
AWP Query on AWP | D [auth A] | 1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea C14 H21 N3 O XUPGANVQJLTRNJ-UHFFFAOYSA-N | |||
MLI Query on MLI | B [auth A] | MALONATE ION C3 H2 O4 OFOBLEOULBTSOW-UHFFFAOYSA-L | |||
NI Query on NI | C [auth A] | NICKEL (II) ION Ni VEQPNABPJHWNSG-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 51.88 | α = 90 |
b = 57.07 | β = 90 |
c = 114.86 | γ = 90 |
Software Name | Purpose |
---|---|
REFMAC | refinement |
Aimless | data scaling |
PDB_EXTRACT | data extraction |
XDS | data reduction |
REFMAC | phasing |