8E1A

Structure-based study to overcome cross-reactivity of novel androgen receptor inhibitors

Replaces:  4U4K

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016491	molecular_function	oxidoreductase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	binding site for residue 3E0 A 1001

Chain	Residue
A	LEU704
A	PHE876
A	ALA877
A	ASN705
A	LEU707
A	MET742
A	MET745
A	MET749
A	ARG752
A	PHE764
A	MET780

---

site_id	AC2
Number of Residues	5
Details	binding site for residue EDO A 1002

Chain	Residue
A	GLY688
A	ARG710
A	HOH1208
A	HOH1242
A	HOH1357

---

site_id	AC3
Number of Residues	4
Details	binding site for residue EDO A 1003

Chain	Residue
A	ASN833
A	GLU837
A	HOH1115
A	HOH1144

---

site_id	AC4
Number of Residues	7
Details	binding site for residue EDO A 1004

Chain	Residue
A	ILE680
A	PRO682
A	HIS714
A	SER908
A	LYS910
A	HOH1191
A	HOH1193

---

site_id	AC5
Number of Residues	6
Details	binding site for residue EDO A 1005

Chain	Residue
A	GLU678
A	TRP751
A	PRO801
A	LEU805
A	HOH1123
A	HOH1101

---

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	ASN705

---

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	ARG752
A	ALA877

---

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	LYS720

---

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	GLU897

---

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

Chain	Residue	Details
A	TYR915

---

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	LYS845
A	LYS847

---