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 site: {"evidences":[{"source":"PubMed","id":"15563469","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16641486","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17591767","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25091737","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1T5Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1T63","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1T65","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XJ7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2AM9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2AMA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2AMB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PIO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PIP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PIR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PIT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PIU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PIV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PIW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PIX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PKL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PNU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2Q7I","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2Q7J","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2Q7K","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2Q7L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2YHD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2YLO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2YLP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2YLQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3L3X","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3L3Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ZQT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HLW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4K7A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OEA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OED","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OEY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OEZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OFR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OFU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JJM","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15563469","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16641486","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17591767","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25091737","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1T5Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1T63","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1T65","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1XJ7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2AM9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2AMA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PIO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PIP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PIQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PIR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PIT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PIU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PIV","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PIW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PIX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2PKL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2Q7I","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2Q7J","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2Q7K","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2Q7L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2YHD","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2YLO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2YLP","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2YLQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2Z4J","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3L3X","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3L3Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3ZQT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4HLW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4K7A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OEA","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OED","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OEY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OEZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OFR","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OFU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JJM","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Site: {"description":"Interaction with coactivator LXXL and FXXFY motifs","evidences":[{"source":"PubMed","id":"25091737","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Site: {"description":"Interaction with coactivator FXXLF and FXXFY motifs","evidences":[{"source":"PubMed","id":"25091737","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Modified residue: {"description":"Phosphotyrosine; by CSK","evidences":[{"source":"PubMed","id":"17045208","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	3
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)","evidences":[{"source":"PubMed","id":"19345326","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---