2Y30

Simocyclinone D8 bound form of TetR-like repressor SimR

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003677	molecular_function	DNA binding
A	0006355	biological_process	regulation of DNA-templated transcription
A	0045892	biological_process	negative regulation of DNA-templated transcription
A	0046872	molecular_function	metal ion binding
B	0003677	molecular_function	DNA binding
B	0006355	biological_process	regulation of DNA-templated transcription
B	0045892	biological_process	negative regulation of DNA-templated transcription
B	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	18
Details	BINDING SITE FOR RESIDUE SM8 A 501

Chain	Residue
A	MET189
B	ALA103
B	LYS107
B	PRO126
B	GLN136
B	VAL139
B	LEU154
B	TYR160
B	ASN161
B	HOH2037
A	GLY193
A	GLN197
A	LEU212
A	THR215
A	PRO218
A	HIS219
B	ILE83
B	THR86

---

site_id	AC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 1247

Chain	Residue
A	VAL45
A	TRP116

---

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 1248

Chain	Residue
A	MET50
A	LYS71

---

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL A 1249

Chain	Residue
A	ASP184
A	MET185

---

site_id	AC5
Number of Residues	20
Details	BINDING SITE FOR RESIDUE SM8 B 501

Chain	Residue
A	GLU43
A	ALA47
A	ILE83
A	THR86
A	ALA103
A	LYS107
A	GLN135
A	GLN136
A	VAL139
A	LEU154
A	ILE157
A	TYR160
A	ASN161
B	MET189
B	SER192
B	GLY193
B	GLN197
B	VAL200
B	LEU212
B	HIS219

---

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL B 1248

Chain	Residue
B	GLY44
B	VAL45
B	TRP116

---

site_id	AC7
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL B 1249

Chain	Residue
B	LYS71

---

site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CL B 1250

Chain	Residue
B	TRP174
B	MET185

---