4HLW

Targeting the Binding Function 3 (BF3) Site of the Human Androgen Receptor Through Virtual Screening. 2. Development of 2-((2-phenoxyethyl) thio)-1H-benzoimidazole derivatives.

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE TES A 1001

Chain	Residue
A	LEU704
A	ASN705
A	GLN711
A	ARG752
A	THR877

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site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE 17W A 1002

Chain	Residue
A	GLU837
A	ARG840
A	ILE882
A	PHE673
A	PRO723
A	ASN727
A	LEU830

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 1003

Chain	Residue
A	PRO682
A	GLN711
A	VAL715
A	LYS808

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site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 1004

Chain	Residue
A	SER696
A	PHE697
A	LYS777
A	ARG779
A	SER853

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:15563469, ECO:0000269|PubMed:16641486, ECO:0000269|PubMed:17591767, ECO:0000269|PubMed:25091737, ECO:0007744|PDB:1T5Z, ECO:0007744|PDB:1T63, ECO:0007744|PDB:1T65, ECO:0007744|PDB:1XJ7, ECO:0007744|PDB:2AM9, ECO:0007744|PDB:2AMA, ECO:0007744|PDB:2AMB, ECO:0007744|PDB:2PIO, ECO:0007744|PDB:2PIP, ECO:0007744|PDB:2PIR, ECO:0007744|PDB:2PIT, ECO:0007744|PDB:2PIU, ECO:0007744|PDB:2PIV, ECO:0007744|PDB:2PIW, ECO:0007744|PDB:2PIX, ECO:0007744|PDB:2PKL, ECO:0007744|PDB:2PNU, ECO:0007744|PDB:2Q7I, ECO:0007744|PDB:2Q7J, ECO:0007744|PDB:2Q7K, ECO:0007744|PDB:2Q7L, ECO:0007744|PDB:2YHD, ECO:0007744|PDB:2YLO, ECO:0007744|PDB:2YLP, ECO:0007744|PDB:2YLQ, ECO:0007744|PDB:3L3X, ECO:0007744|PDB:3L3Z, ECO:0007744|PDB:3ZQT, ECO:0007744|PDB:4HLW, ECO:0007744|PDB:4K7A, ECO:0007744|PDB:4OEA, ECO:0007744|PDB:4OED, ECO:0007744|PDB:4OEY, ECO:0007744|PDB:4OEZ, ECO:0007744|PDB:4OFR, ECO:0007744|PDB:4OFU, ECO:0007744|PDB:5JJM

Chain	Residue	Details
A	GLU706

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269|PubMed:15563469, ECO:0000269|PubMed:16641486, ECO:0000269|PubMed:17591767, ECO:0000269|PubMed:25091737, ECO:0007744|PDB:1T5Z, ECO:0007744|PDB:1T63, ECO:0007744|PDB:1T65, ECO:0007744|PDB:1XJ7, ECO:0007744|PDB:2AM9, ECO:0007744|PDB:2AMA, ECO:0007744|PDB:2PIO, ECO:0007744|PDB:2PIP, ECO:0007744|PDB:2PIQ, ECO:0007744|PDB:2PIR, ECO:0007744|PDB:2PIT, ECO:0007744|PDB:2PIU, ECO:0007744|PDB:2PIV, ECO:0007744|PDB:2PIW, ECO:0007744|PDB:2PIX, ECO:0007744|PDB:2PKL, ECO:0007744|PDB:2Q7I, ECO:0007744|PDB:2Q7J, ECO:0007744|PDB:2Q7K, ECO:0007744|PDB:2Q7L, ECO:0007744|PDB:2YHD, ECO:0007744|PDB:2YLO, ECO:0007744|PDB:2YLP, ECO:0007744|PDB:2YLQ, ECO:0007744|PDB:2Z4J, ECO:0007744|PDB:3L3X, ECO:0007744|PDB:3L3Z, ECO:0007744|PDB:3ZQT, ECO:0007744|PDB:4HLW, ECO:0007744|PDB:4K7A, ECO:0007744|PDB:4OEA, ECO:0007744|PDB:4OED, ECO:0007744|PDB:4OEY, ECO:0007744|PDB:4OEZ, ECO:0007744|PDB:4OFR, ECO:0007744|PDB:4OFU, ECO:0007744|PDB:5JJM

Chain	Residue	Details
A	SER753
A	PHE878

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	SITE: Interaction with coactivator LXXL and FXXFY motifs => ECO:0000269|PubMed:25091737

Chain	Residue	Details
A	ALA721

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	SITE: Interaction with coactivator FXXLF and FXXFY motifs => ECO:0000269|PubMed:25091737

Chain	Residue	Details
A	ILE898

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	MOD_RES: Phosphotyrosine; by CSK => ECO:0000269|PubMed:17045208

Chain	Residue	Details
A	PHE916

---

site_id	SWS_FT_FI6
Number of Residues	3
Details	CROSSLNK: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin) => ECO:0000269|PubMed:19345326

Chain	Residue	Details
A	ARG846
A	ASN848

---