Download MendeleyMutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Olaparib (AZD2281)
Wang, X.Y., Zhou, J., Xu, B.L.To be published.
8HLJ
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to Olaparib (AZD2281)
- PDB DOI: https://doi.org/10.2210/pdb8HLJ/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2022-11-30 Released: 2024-05-01
- Funding Organization(s): National Natural Science Foundation of China (NSFC)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.24 Å
- R-Value Free: 0.247
- R-Value Work: 0.200
- R-Value Observed: 0.202
Starting Model: in silico
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This is version 1.0 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Poly [ADP-ribose] polymerase 2 | 353 | Homo sapiens | Mutation(s): 4 Gene Names: PARP2, ADPRT2, ADPRTL2 EC: 2.4.2.30 (PDB Primary Data), 2.4.2 (PDB Primary Data) |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q9UGN5 (Homo sapiens) Explore Q9UGN5 Go to UniProtKB: Q9UGN5 | |||||
PHAROS: Q9UGN5 GTEx: ENSG00000129484 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9UGN5 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 09L Query on 09L | C [auth A], D [auth B] | 4-(3-{[4-(cyclopropylcarbonyl)piperazin-1-yl]carbonyl}-4-fluorobenzyl)phthalazin-1(2H)-one C24 H23 F N4 O3 FDLYAMZZIXQODN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.24 Å
- R-Value Free: 0.247
- R-Value Work: 0.200
- R-Value Observed: 0.202
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 40.902 | α = 90 |
| b = 86.288 | β = 90.44 |
| c = 95.828 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| autoPROC | data processing |
| Aimless | data scaling |
| MOLREP | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2024-05-01 Deposition Author(s): Wang, X.Y., Zhou, J., Xu, B.L.
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Natural Science Foundation of China (NSFC) | China | 82003657 |
| National Natural Science Foundation of China (NSFC) | China | 81673300 |
| National Natural Science Foundation of China (NSFC) | China | 82173693 |
Revision History (Full details and data files)
- Version 1.0: 2024-05-01
Type: Initial release
