Download MendeleyMutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to approved drug Fluzoparib
Wang, X.Y., Zhou, J., Xu, B.L.To be published.
8HKN
Mutated human ADP-ribosyltransferase 2 (PARP2) catalytic domain bound to approved drug Fluzoparib
- PDB DOI: https://doi.org/10.2210/pdb8HKN/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2022-11-27 Released: 2024-05-01
- Funding Organization(s): National Natural Science Foundation of China (NSFC)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.50 ?
- R-Value Free: 0.261
- R-Value Work: 0.181
- R-Value Observed: 0.185
Starting Model: in silico
View more details
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 | A [auth B], B [auth A] | 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 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 25I (Subject of Investigation/LOI) Query on 25I | D [auth B], F [auth A] | Fluzoparib C22 H16 F4 N6 O2 XJGXCBHXFWBOTN-UHFFFAOYSA-N |  | ||
| GOL (Subject of Investigation/LOI) Query on GOL | C [auth B], E [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.50 ?
- R-Value Free: 0.261
- R-Value Work: 0.181
- R-Value Observed: 0.185
- Space Group: P 1 21 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 41.01 | ¦Á = 90 |
| b = 85.584 | ¦Â = 90.03 |
| c = 95.413 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| autoPROC | data processing |
| Aimless | data scaling |
| MOLREP | phasing |
| PHENIX | refinement |
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
