7LJE

Discovery of Spirohydantoins as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004402	molecular_function	histone acetyltransferase activity
A	0006355	biological_process	regulation of DNA-templated transcription
B	0004402	molecular_function	histone acetyltransferase activity
B	0006355	biological_process	regulation of DNA-templated transcription
C	0004402	molecular_function	histone acetyltransferase activity
C	0006355	biological_process	regulation of DNA-templated transcription
D	0004402	molecular_function	histone acetyltransferase activity
D	0006355	biological_process	regulation of DNA-templated transcription

Functional Information from PDB Data

site_id	AC1
Number of Residues	21
Details	binding site for residue Y2P A 1701

Chain	Residue
A	PHE1374
A	TYR1446
A	HIS1451
A	PRO1452
A	PRO1453
A	GLN1455
A	ILE1457
A	PRO1458
A	ARG1462
A	LEU1463
A	TRP1466
A	LEU1398
A	TYR1467
A	HOH1830
A	ASP1399
A	SER1400
A	TYR1414
A	PRO1440
A	GLU1442
A	GLY1443
A	ASP1444

---

site_id	AC2
Number of Residues	19
Details	binding site for residue Y2P B 1701

Chain	Residue
B	PHE1374
B	LEU1398
B	ASP1399
B	SER1400
B	TYR1414
B	PRO1440
B	GLY1443
B	ASP1444
B	TYR1446
B	PRO1453
B	GLN1455
B	LYS1456
B	ILE1457
B	PRO1458
B	ARG1462
B	LEU1463
B	TRP1466
B	TYR1467
B	HOH1806

---

site_id	AC3
Number of Residues	21
Details	binding site for residue Y2P C 1701

Chain	Residue
C	PHE1374
C	LEU1398
C	ASP1399
C	SER1400
C	TYR1414
C	PRO1440
C	GLU1442
C	GLY1443
C	ASP1444
C	TYR1446
C	HIS1451
C	PRO1452
C	PRO1453
C	GLN1455
C	PRO1458
C	ARG1462
C	LEU1463
C	TRP1466
C	TYR1467
C	HOH1803
C	HOH1848

---

site_id	AC4
Number of Residues	18
Details	binding site for residue Y2P D 1701

Chain	Residue
D	PHE1374
D	LEU1398
D	ASP1399
D	SER1400
D	TYR1414
D	PRO1440
D	GLU1442
D	GLY1443
D	ASP1444
D	TYR1446
D	HIS1451
D	PRO1453
D	GLN1455
D	ILE1457
D	PRO1458
D	ARG1462
D	TRP1466
D	TYR1467

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	20
Details	BINDING: BINDING => ECO:0000269|PubMed:24819397

Chain	Residue	Details
A	LEU1398
B	TRP1466
C	LEU1398
C	ARG1410
C	ILE1457
C	ARG1462
C	TRP1466
D	LEU1398
D	ARG1410
D	ILE1457
D	ARG1462
A	ARG1410
D	TRP1466
A	ILE1457
A	ARG1462
A	TRP1466
B	LEU1398
B	ARG1410
B	ILE1457
B	ARG1462

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:17065153

Chain	Residue	Details
A	LYS1336
A	LYS1473
B	LYS1336
B	LYS1473
C	LYS1336
C	LYS1473
D	LYS1336
D	LYS1473

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	MOD_RES: N6-acetyllysine; by autocatalysis => ECO:0000269|PubMed:15004546

Chain	Residue	Details
A	LYS1499
B	LYS1499
C	LYS1499
D	LYS1499

---

site_id	SWS_FT_FI4
Number of Residues	8
Details	MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:18995842, ECO:0007744|PubMed:19608861

Chain	Residue	Details
A	PRO1574
A	ASN1578
B	PRO1574
B	ASN1578
C	PRO1574
C	ASN1578
D	PRO1574
D	ASN1578

---

site_id	SWS_FT_FI5
Number of Residues	4
Details	MOD_RES: N6-acetyllysine; by autocatalysis => ECO:0000269|PubMed:15004546, ECO:0000269|PubMed:18995842

Chain	Residue	Details
A	SER1581
B	SER1581
C	SER1581
D	SER1581

---

site_id	SWS_FT_FI6
Number of Residues	8
Details	MOD_RES: N6-acetyllysine; by autocatalysis => ECO:0000269|PubMed:15004546, ECO:0007744|PubMed:19608861

Chain	Residue	Details
A	ALA1586
A	LYS1592
B	ALA1586
B	LYS1592
C	ALA1586
C	LYS1592
D	ALA1586
D	LYS1592

---

site_id	SWS_FT_FI7
Number of Residues	8
Details	MOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861

Chain	Residue	Details
A	THR1587
A	PRO1615
B	THR1587
B	PRO1615
C	THR1587
C	PRO1615
D	THR1587
D	PRO1615

---

site_id	SWS_FT_FI8
Number of Residues	4
Details	MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:15004546, ECO:0007744|PubMed:19608861

Chain	Residue	Details
A	LYS1590
B	LYS1590
C	LYS1590
D	LYS1590

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