5TN9

Crystal Structure of the ER-alpha Ligand-binding Domain (L372S,L536S) in Complex with the OBHS-BSC, 4-bromophenyl (1R,2R,4S)-5-(4-hydroxyphenyl)-6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate

Functional Information from PDB Data

site_id	AC1
Number of Residues	13
Details	binding site for residue 7EC A 601

Chain	Residue
A	LEU346
A	GLY521
A	ASN532
A	VAL533
A	HOH728
A	ALA350
A	ASP351
A	GLU353
A	TRP383
A	LEU387
A	MET388
A	ARG394
A	ILE424

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site_id	AC2
Number of Residues	13
Details	binding site for residue 7EC B 601

Chain	Residue
B	THR347
B	ALA350
B	ASP351
B	GLU353
B	LEU354
B	MET388
B	ARG394
B	ILE424
B	GLY521
B	LEU525
B	VAL533
B	PRO535
B	LEU539

---

site_id	AC3
Number of Residues	13
Details	binding site for residue 7EC C 601

Chain	Residue
C	LEU346
C	ALA350
C	ASP351
C	GLU353
C	LEU387
C	ARG394
C	ILE424
C	GLY521
C	LEU525
C	VAL533
C	VAL534
C	PRO535
C	HOH725

---

site_id	AC4
Number of Residues	14
Details	binding site for residue 7EC D 601

Chain	Residue
D	THR347
D	ALA350
D	ASP351
D	GLU353
D	LEU354
D	LEU387
D	MET388
D	ARG394
D	ILE424
D	GLY521
D	LEU525
D	PRO535
D	LEU539
D	HOH714

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269|PubMed:9338790, ECO:0000269|PubMed:9600906, ECO:0007744|PDB:1A52, ECO:0007744|PDB:1ERE

Chain	Residue	Details
A	GLU353
D	GLU353
D	ARG394
D	HIS524
A	ARG394
A	HIS524
B	GLU353
B	ARG394
B	HIS524
C	GLU353
C	ARG394
C	HIS524

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	MOD_RES: Phosphotyrosine; by Tyr-kinases => ECO:0000269|PubMed:7539106

Chain	Residue	Details
A	TYR537
B	TYR537
C	TYR537
D	TYR537

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	LIPID: S-palmitoyl cysteine => ECO:0000250

Chain	Residue	Details
A	CYS447
B	CYS447
C	CYS447
D	CYS447

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