5JJM

Crystal Structure of Homodimeric Androgen Receptor Ligand-Binding Domain bound to DHT and LxxLL peptide

Functional Information from PDB Data

site_id	AC1
Number of Residues	7
Details	binding site for residue DHT A 1001

Chain	Residue
A	LEU704
A	ASN705
A	GLN711
A	MET742
A	MET749
A	ARG752
A	THR877

---

site_id	AC2
Number of Residues	3
Details	binding site for residue ZN A 1002

Chain	Residue
M	FME503
A	PRO849
A	CYS852

---

site_id	AC3
Number of Residues	1
Details	binding site for residue CL A 1003

Chain	Residue
A	SER851

---

site_id	AC4
Number of Residues	2
Details	binding site for residue EDO A 1004

Chain	Residue
A	GLY688
A	ARG710

---

site_id	AC5
Number of Residues	5
Details	binding site for residue GOL A 1005

Chain	Residue
A	TRP751
A	PHE754
A	THR755
A	ASN758
A	LEU805

---

site_id	AC6
Number of Residues	6
Details	binding site for residue SO4 A 1006

Chain	Residue
A	SER696
A	PHE697
A	LYS777
A	ARG779
A	HOH1110
A	HOH1119

---

site_id	AC7
Number of Residues	8
Details	binding site for residue DHT B 1001

Chain	Residue
B	LEU704
B	ASN705
B	GLN711
B	MET742
B	MET749
B	ARG752
B	PHE764
B	THR877

---

site_id	AC8
Number of Residues	2
Details	binding site for residue ZN B 1002

Chain	Residue
B	CYS852
F	FME503

---

site_id	AC9
Number of Residues	1
Details	binding site for residue CL B 1003

Chain	Residue
B	SER851

---

site_id	AD1
Number of Residues	4
Details	binding site for residue EDO B 1004

Chain	Residue
B	PHE754
B	THR755
B	ASN758
C	TRP751

---

site_id	AD2
Number of Residues	2
Details	binding site for residue EDO B 1005

Chain	Residue
B	GLY688
B	ARG710

---

site_id	AD3
Number of Residues	2
Details	binding site for residue EDO B 1006

Chain	Residue
B	ARG846
B	SER851

---

site_id	AD4
Number of Residues	6
Details	binding site for residue SO4 B 1007

Chain	Residue
B	SER696
B	PHE697
B	LYS777
B	ARG779
B	HOH1101
B	HOH1103

---

site_id	AD5
Number of Residues	7
Details	binding site for residue DHT C 1001

Chain	Residue
C	LEU704
C	ASN705
C	GLN711
C	MET749
C	ARG752
C	PHE764
C	THR877

---

site_id	AD6
Number of Residues	2
Details	binding site for residue ZN C 1002

Chain	Residue
C	CYS852
K	FME503

---

site_id	AD7
Number of Residues	2
Details	binding site for residue EDO C 1003

Chain	Residue
C	GLY688
C	ARG710

---

site_id	AD8
Number of Residues	6
Details	binding site for residue GOL C 1004

Chain	Residue
B	GLU681
B	TRP751
B	PRO801
B	LEU805
C	THR755
C	ASN758

---

site_id	AD9
Number of Residues	5
Details	binding site for residue PGE C 1005

Chain	Residue
C	HIS776
D	ASN833
D	LYS836
D	ARG840
D	MET886

---

site_id	AE1
Number of Residues	5
Details	binding site for residue SO4 C 1006

Chain	Residue
C	SER696
C	PHE697
C	LYS777
C	ARG779
C	HOH1109

---

site_id	AE2
Number of Residues	3
Details	binding site for residue SO4 C 1007

Chain	Residue
B	LYS836
C	ARG779
C	VAL887

---

site_id	AE3
Number of Residues	2
Details	binding site for residue ZN D 1002

Chain	Residue
D	CYS852
L	FME503

---

site_id	AE4
Number of Residues	8
Details	binding site for residue DHT D 1001

Chain	Residue
D	LEU704
D	ASN705
D	GLN711
D	MET745
D	MET749
D	ARG752
D	PHE764
D	THR877

---

site_id	AE5
Number of Residues	2
Details	binding site for residue CL D 1003

Chain	Residue
D	PRO892
D	GLU893

---

site_id	AE6
Number of Residues	3
Details	binding site for residue EDO D 1004

Chain	Residue
D	ARG779
D	LYS836
D	VAL887

---

site_id	AE7
Number of Residues	2
Details	binding site for residue EDO D 1005

Chain	Residue
D	GLY688
D	ARG710

---

site_id	AE8
Number of Residues	4
Details	binding site for residue ACT D 1006

Chain	Residue
D	LYS825
D	LYS822
D	ASN823
D	GLN824

---

site_id	AE9
Number of Residues	4
Details	binding site for residue EDO D 1007

Chain	Residue
D	TRP751
D	THR755
D	ASN758
D	LEU805

---

site_id	AF1
Number of Residues	6
Details	binding site for residue SO4 D 1008

Chain	Residue
D	SER696
D	PHE697
D	LYS777
D	ARG779
D	HOH1107
D	HOH1108

---

site_id	AF2
Number of Residues	10
Details	binding site for Di-peptide FME F 920 and SER F 921

Chain	Residue
B	ASP839
B	ALA843
B	ARG846
B	LYS847
B	ASN848
B	PRO849
B	CYS852
B	ZN1002
C	ILE882
F	ASP505

---

site_id	AF3
Number of Residues	9
Details	binding site for Di-peptide FME K 503 and SER K 504

Chain	Residue
B	ILE882
C	ASP839
C	ALA843
C	ARG846
C	ASN848
C	PRO849
C	CYS852
C	ZN1002
K	ASP505

---

site_id	AF4
Number of Residues	9
Details	binding site for Di-peptide FME L 503 and SER L 504

Chain	Residue
D	ASP839
D	ALA843
D	ARG846
D	ASN848
D	PRO849
D	CYS852
D	ILE882
D	ZN1002
L	ASP505

---

site_id	AF5
Number of Residues	8
Details	binding site for Di-peptide FME M 503 and SER M 504

Chain	Residue
A	CYS669
A	ASP839
A	ALA843
A	ARG846
A	CYS852
A	ILE882
A	ZN1002
M	ASP505

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	462
Details	Domain: {"description":"NR LBD","evidences":[{"source":"PROSITE-ProRule","id":"PRU01189","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
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_FI3
Number of Residues	8
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_FI4
Number of Residues	4
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_FI5
Number of Residues	4
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_FI6
Number of Residues	4
Details	Modified residue: {"description":"Phosphotyrosine; by CSK","evidences":[{"source":"PubMed","id":"17045208","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	12
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

---