3BR1

Crystal Structure of the Complex of Dequalinium Bound to QacR(E90Q), a Mutant of a Multidrug Binding Transcriptional Repressor

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003677	molecular_function	DNA binding
A	0003700	molecular_function	DNA-binding transcription factor activity
A	0045892	biological_process	negative regulation of DNA-templated transcription
B	0003677	molecular_function	DNA binding
B	0003700	molecular_function	DNA-binding transcription factor activity
B	0045892	biological_process	negative regulation of DNA-templated transcription
D	0003677	molecular_function	DNA binding
D	0003700	molecular_function	DNA-binding transcription factor activity
D	0045892	biological_process	negative regulation of DNA-templated transcription
E	0003677	molecular_function	DNA binding
E	0003700	molecular_function	DNA-binding transcription factor activity
E	0045892	biological_process	negative regulation of DNA-templated transcription

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 300

Chain	Residue
A	ASN2
A	LEU3
A	LYS4
A	HIS42

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 301

Chain	Residue
A	SER35
A	LYS36
A	GLY37
E	LYS60

---

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 305

Chain	Residue
A	GLY26
A	GLU27
A	THR24

---

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 306

Chain	Residue
A	HIS128
A	LYS132

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 308

Chain	Residue
A	LYS4
A	TYR41
A	HIS42
A	HOH328

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 E 311

Chain	Residue
D	LYS177
E	ILE142
E	ASN143
E	ASP144
E	VAL148

---

site_id	AC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 E 312

Chain	Residue
E	HIS128
E	LYS132

---

site_id	AC8
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 E 313

Chain	Residue
E	HIS42

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 315

Chain	Residue
E	THR24
E	THR25
E	GLY26
E	LYS36

---

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 316

Chain	Residue
B	GLN64
B	TYR91
D	GLN64
D	GLN90
D	TYR91

---

site_id	BC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE SO4 D 318

Chain	Residue
D	LYS36

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 319

Chain	Residue
E	LEU3
E	LYS4
E	ASN38
E	HIS42

---

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 320

Chain	Residue
A	LYS17
A	ASN18
A	TYR91
A	HIS164

---

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 322

Chain	Residue
D	TYR20
D	LYS46
D	GLU105
D	TYR106

---

site_id	BC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 D 321

Chain	Residue
D	HIS128
D	LYS132

---

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 322

Chain	Residue
E	LYS36
E	TYR40
E	LYS46
E	GLU47

---

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 323

Chain	Residue
D	THR24
D	GLY26
D	LYS36

---

site_id	BC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 324

Chain	Residue
B	ASP5
B	LYS6
B	ILE7

---

site_id	CC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 325

Chain	Residue
A	THR23
A	THR24
A	THR25
A	LYS46

---

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 326

Chain	Residue
D	LEU3
D	LYS4
D	ASN38
D	HIS42

---

site_id	CC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 327

Chain	Residue
A	THR109
A	ASN110
A	SER111

---

site_id	CC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 328

Chain	Residue
B	LYS67
D	LYS60
D	GLN90
D	TYR91

---

site_id	CC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE DEQ A 201

Chain	Residue
A	LEU54
A	GLU57
A	GLU58
A	TRP61
A	THR89
A	GLN90
A	TYR93
A	TYR103
A	MET116
B	ASN97
B	THR161

---

Functional Information from PROSITE/UniProt

site_id	PS01081
Number of Residues	31
Details	HTH_TETR_1 TetR-type HTH domain signature. GYnatTTgeIvklseSSkGnLYyHFkTKen.L

Chain	Residue	Details
B	GLY19-LEU49

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	76
Details	DNA_BIND: H-T-H motif => ECO:0000255|PROSITE-ProRule:PRU00335

Chain	Residue	Details
B	THR24-PHE43
D	THR24-PHE43
A	THR24-PHE43
E	THR24-PHE43

---