Structure of human PARP1 catalytic domain bound to a benzoimidazole inhibitor
Cao, R., Wang, Y.L., Zhou, J., Huang, N., Xu, B.L.To be published.
Experimental Data Snapshot
Entity ID: 1 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
Poly [ADP-ribose] polymerase 1 | 352 | Homo sapiens | Mutation(s): 1  Gene Names: PARP1 EC: 2.4.2.30 (PDB Primary Data), 2.4.2 (UniProt) | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P09874 (Homo sapiens) Explore P09874  Go to UniProtKB:  P09874 | |||||
PHAROS:  P09874 GTEx:  ENSG00000143799  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P09874 | ||||
Sequence AnnotationsExpand | |||||
|
Ligands 1 Unique | |||||
---|---|---|---|---|---|
ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
7U9 Query on 7U9 | C [auth A], D [auth B] | 2-[(3R)-3-azanylpyrrolidin-1-yl]carbonyl-1H-benzimidazole-4-carboxamide C13 H15 N5 O2 WHEDMAICUFWICE-SSDOTTSWSA-N |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 48.71 | α = 90 |
b = 91.87 | β = 90 |
c = 162.23 | γ = 90 |
Software Name | Purpose |
---|---|
REFMAC | refinement |
iMOSFLM | data reduction |
SCALEPACK | data scaling |
PHASER | phasing |