Download MendeleyPim1 in complex with 4-(5-(4-aminophenyl)-2H-1,2,3-triazol-4-yl)benzoic acid and Pimtide
Hochban, P.M.M., Heyder, L., Heine, A., Diederich, W.E.To be published.
8R1W
Pim1 in complex with 4-(5-(4-aminophenyl)-2H-1,2,3-triazol-4-yl)benzoic acid and Pimtide
- PDB DOI: https://doi.org/10.2210/pdb8R1W/pdb
- Classification: TRANSFERASE
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2023-11-02 Released: 2024-11-13
- Funding Organization(s): Not funded
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.15 Å
- R-Value Free: 0.204
- R-Value Work: 0.175
- R-Value Observed: 0.176
Starting Model: experimental
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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 |
| Serine/threonine-protein kinase pim-1 | 313 | Homo sapiens | Mutation(s): 1 Gene Names: PIM1 EC: 2.7.11.1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P11309 (Homo sapiens) Explore P11309 Go to UniProtKB: P11309 | |||||
PHAROS: P11309 GTEx: ENSG00000137193 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P11309 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by: Sequence | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Pimtide | 14 | Homo sapiens | Mutation(s): 0 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| XIW (Subject of Investigation/LOI) Query on XIW | D [auth A] | 4-(5-(4-aminophenyl)-2H-1,2,3-triazol-4-yl)benzoic acid C15 H12 N4 O2 BGIRWVZOLYIMLA-UHFFFAOYSA-N |  | ||
| GOL Query on GOL | C [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| SEP Query on SEP | A | L-PEPTIDE LINKING | C3 H8 N O6 P |  | SER |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.15 Å
- R-Value Free: 0.204
- R-Value Work: 0.175
- R-Value Observed: 0.176
- Space Group: P 65
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 97.613 | α = 90 |
| b = 97.613 | β = 90 |
| c = 80.258 | γ = 120 |
| Software Name | Purpose |
|---|---|
| MxCuBE | data collection |
| PHENIX | refinement |
| XDS | data reduction |
| XDS | data scaling |
| PHASER | phasing |
| Coot | model building |
Entry History & Funding Information
Deposition Data
- Released Date: 2024-11-13 Deposition Author(s): Hochban, P.M.M., Heine, A., Diederich, W.E.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Not funded | -- |
Revision History (Full details and data files)
- Version 1.0: 2024-11-13
Type: Initial release
