6FX0

Structure-based design of Trifarotene (CD5789), a potent and selective RAR gamma agonist for the treatment of acne

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000122	biological_process	negative regulation of transcription by RNA polymerase II
A	0000785	cellular_component	chromatin
A	0000978	molecular_function	RNA polymerase II cis-regulatory region sequence-specific DNA binding
A	0000981	molecular_function	DNA-binding transcription factor activity, RNA polymerase II-specific
A	0002063	biological_process	chondrocyte development
A	0003430	biological_process	growth plate cartilage chondrocyte growth
A	0003677	molecular_function	DNA binding
A	0003682	molecular_function	chromatin binding
A	0003700	molecular_function	DNA-binding transcription factor activity
A	0004879	molecular_function	nuclear receptor activity
A	0005515	molecular_function	protein binding
A	0005634	cellular_component	nucleus
A	0005654	cellular_component	nucleoplasm
A	0005667	cellular_component	transcription regulator complex
A	0005737	cellular_component	cytoplasm
A	0006351	biological_process	DNA-templated transcription
A	0006355	biological_process	regulation of DNA-templated transcription
A	0008270	molecular_function	zinc ion binding
A	0008285	biological_process	negative regulation of cell population proliferation
A	0008361	biological_process	regulation of cell size
A	0016020	cellular_component	membrane
A	0030154	biological_process	cell differentiation
A	0032526	biological_process	response to retinoic acid
A	0035116	biological_process	embryonic hindlimb morphogenesis
A	0043065	biological_process	positive regulation of apoptotic process
A	0043068	biological_process	positive regulation of programmed cell death
A	0043565	molecular_function	sequence-specific DNA binding
A	0045944	biological_process	positive regulation of transcription by RNA polymerase II
A	0046872	molecular_function	metal ion binding
A	0046965	molecular_function	nuclear retinoid X receptor binding
A	0048048	biological_process	embryonic eye morphogenesis
A	0048384	biological_process	retinoic acid receptor signaling pathway
A	0060070	biological_process	canonical Wnt signaling pathway
A	0060173	biological_process	limb development
A	0060348	biological_process	bone development
A	0090575	cellular_component	RNA polymerase II transcription regulator complex
A	1990837	molecular_function	sequence-specific double-stranded DNA binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	16
Details	binding site for residue E9T A 501

Chain	Residue
A	PHE201
A	PHE288
A	SER289
A	PHE304
A	GLY393
A	LEU400
A	HOH617
A	HOH645
A	PHE230
A	ALA234
A	CYS237
A	LEU268
A	LEU271
A	MET272
A	ILE275
A	ARG278

---

site_id	AC2
Number of Residues	8
Details	binding site for residue PG4 A 502

Chain	Residue
A	ILE238
A	LYS264
A	CYS267
A	PRO377
A	LEU380
A	LEU411
A	MET415
A	HOH642

---

Functional Information from PROSITE/UniProt

site_id	PS00031
Number of Residues	27
Details	NUCLEAR_REC_DBD_1 Nuclear hormones receptors DNA-binding region signature. CfvCn.Dkssgy.HYgvssCegCkgFFrR

Chain	Residue	Details
A	CYS90-ARG116

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2)","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---