Download MendeleyCrystal structure of hERa-LBD (Y537S) in complex with biochanin A
Delfosse, V., Bourguet, V.To be published.
5JMM
Crystal structure of hERa-LBD (Y537S) in complex with biochanin A
- PDB DOI: https://doi.org/10.2210/pdb5JMM/pdb
- Classification: TRANSCRIPTION
- Organism(s): Homo sapiens
- Expression System: Escherichia coli BL21(DE3), synthetic construct
- Mutation(s): Yes
- Deposited: 2016-04-29 Released: 2017-05-10
- Funding Organization(s): ANSES
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 ?
- R-Value Free: 0.216
- R-Value Work: 0.165
- R-Value Observed: 0.168
Starting Model: experimental
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This is version 1.2 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 |
| Estrogen receptor | 255 | Homo sapiens | Mutation(s): 1 Gene Names: ESR1, ESR, NR3A1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P03372 (Homo sapiens) Explore P03372 Go to UniProtKB: P03372 | |||||
PHAROS: P03372 GTEx: ENSG00000091831 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P03372 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Estrogen receptor | 255 | Homo sapiens | Mutation(s): 1 Gene Names: ESR1, ESR, NR3A1 |  | |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for P03372 (Homo sapiens) Explore P03372 Go to UniProtKB: P03372 | |||||
PHAROS: P03372 GTEx: ENSG00000091831 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P03372 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Find similar proteins by: Sequence | 3D Structure
Entity ID: 3 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Nuclear receptor coactivator 1 | C [auth F], D [auth G] | 13 | Homo sapiens | Mutation(s): 0 Gene Names: NCOA1, BHLHE74, SRC1 EC: 2.3.1.48 |  |
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q15788 (Homo sapiens) Explore Q15788 Go to UniProtKB: Q15788 | |||||
PHAROS: Q15788 GTEx: ENSG00000084676 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q15788 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| QSO Query on QSO | E [auth A], F [auth B] | 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one C16 H12 O5 WUADCCWRTIWANL-UHFFFAOYSA-N |  | ||
| GOL Query on GOL | G [auth B], I [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| EDO Query on EDO | H [auth B] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| CSO Query on CSO | A | L-PEPTIDE LINKING | C3 H7 N O3 S |  | CYS |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 ?
- R-Value Free: 0.216
- R-Value Work: 0.165
- R-Value Observed: 0.168
- Space Group: P 1 21 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 54.4 | ¦Á = 90 |
| b = 81.22 | ¦Â = 109.76 |
| c = 58.17 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XDS | data reduction |
| XSCALE | data scaling |
| PHENIX | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2017-05-10 Deposition Author(s): Delfosse, V., Bourguet, W.
| Funding Organization | Location | Grant Number |
|---|---|---|
| ANSES | France | EST-2013/1/031 |
Revision History (Full details and data files)
- Version 1.0: 2017-05-10
Type: Initial release - Version 1.1: 2024-01-10
Changes: Data collection, Database references, Refinement description - Version 1.2: 2024-11-13
Changes: Structure summary
