4K7A

Crystal structure of the androgen receptor ligand binding domain in complex with minoxidil

PDB DOI: https://doi.org/10.2210/pdb4K7A/pdb

Classification: TRANSCRIPTION
Organism(s): Homo sapiens
Expression System: Escherichia coli
Mutation(s): No

Deposited: 2013-04-16 Released: 2014-04-16
Deposition Author(s): Liu, J.S., Hsu, C.L., Wu, W.G.

Experimental Data Snapshot

Method: X-RAY DIFFRACTION
Resolution: 2.44 Å
R-Value Free: 0.268
R-Value Work: 0.188
R-Value Observed: 0.192

Starting Model: experimental
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Ligand Structure Quality Assessment

This is version 1.1 of the entry. See complete history.

Literature

Crystal structure of the androgen receptor ligand binding domain in complex with minoxidil

Liu, J.S., Hsu, C.L., Wu, W.G.

To be published.

Macromolecule Content

Total Structure Weight: 29.46 kDa
Atom Count: 2,074
Modelled Residue Count: 242
Deposited Residue Count: 249
Unique protein chains: 1

Macromolecules

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(by identity cutoff) | 3D Structure

Entity ID: 1
Molecule	Chains	Sequence Length	Organism	Details	Image
Androgen receptor	A	249	Homo sapiens	Mutation(s): 0 Gene Names: AR
UniProt & NIH Common Fund Data Resources
Find proteins for P10275 (Homo sapiens) Explore P10275 Go to UniProtKB: P10275
PHAROS: P10275 GTEx: ENSG00000169083
Entity Groups
Sequence Clusters	30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt Group	P10275
Sequence Annotations Expand
Reference Sequence

Small Molecules

Ligands 2 Unique
ID	Chains	Name / Formula / InChI Key	2D Diagram	3D Interactions
DHT Query on DHT Download Ideal Coordinates CCD File SDF format, chain B [auth A] MOL2 format, chain B [auth A] mmCIF format, chain B [auth A]	B [auth A]	5-ALPHA-DIHYDROTESTOSTERONE C₁₉ H₃₀ O₂ NVKAWKQGWWIWPM-ABEVXSGRSA-N		Interactions Focus chain B [auth A] Interactions & Density Focus chain B [auth A]
MXD Query on MXD Download Ideal Coordinates CCD File SDF format, chain C [auth A] MOL2 format, chain C [auth A] mmCIF format, chain C [auth A]	C [auth A]	6-PIPERIDIN-1-YLPYRIMIDINE-2,4-DIAMINE 3-OXIDE C₉ H₁₅ N₅ O ZFMITUMMTDLWHR-UHFFFAOYSA-N		Interactions Focus chain C [auth A] Interactions & Density Focus chain C [auth A]

Experimental Data & Validation

Experimental Data

Method: X-RAY DIFFRACTION
Resolution: 2.44 Å
R-Value Free: 0.268
R-Value Work: 0.188
R-Value Observed: 0.192
Space Group: P 2₁ 2₁ 2₁

Unit Cell:

Length ( Å )	Angle ( ˚ )
a = 55.429	α = 90
b = 65.541	β = 90
c = 70.384	γ = 90

Software Package:

Software Name	Purpose
HKL-2000	data collection
AMoRE	phasing
REFMAC	refinement
HKL-2000	data reduction
HKL-2000	data scaling

Structure Validation

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Entry History

Deposition Data

Released Date: 2014-04-16

Deposition Author(s):

Liu, J.S.

Hsu, C.L.

Wu, W.G.

Revision History (Full details and data files)

Version 1.0: 2014-04-16
Type: Initial release
Version 1.1: 2023-11-08
Changes: Data collection, Database references, Derived calculations, Refinement description

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4K7A

Crystal structure of the androgen receptor ligand binding domain in complex with minoxidil

Crystal structure of the androgen receptor ligand binding domain in complex with minoxidil

Entity ID: 1

UniProt & NIH Common Fund Data Resources

Entity Groups

Sequence Annotations

Expand

Experimental Data

Structure Validation

Ligand Structure Quality Assessment

Deposition Data

Revision History (Full details and data files)