3BR2

Crystal Structure of the Complex of Dequalinium Bound to QacR(E120Q), 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	3
Details	BINDING SITE FOR RESIDUE SO4 A 500

Chain	Residue
A	LYS4
A	HIS42
A	HOH538

---

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 501

Chain	Residue
A	LEU3
A	LYS4
A	ASN38
A	HIS42
A	HOH538

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 E 503

Chain	Residue
E	LYS12
E	ILE53
E	ILE56
E	GLU57
E	LEU8

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 504

Chain	Residue
A	SER35
A	LYS36
E	LYS60

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 505

Chain	Residue
A	THR23
A	THR24
A	THR25
A	LYS46

---

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 506

Chain	Residue
A	ARG76
A	GLN180
A	ASN184

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 508

Chain	Residue
A	HIS128
A	LYS132
A	HOH540

---

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 E 509

Chain	Residue
E	THR24
E	THR25
E	GLY26
E	GLU27
E	LYS36

---

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 B 511

Chain	Residue
B	GLN64
B	GLU90
B	TYR91
D	GLN64
D	GLU90
D	TYR91

---

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 512

Chain	Residue
D	THR24
D	GLY26
D	GLU27

---

site_id	BC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 D 513

Chain	Residue
D	TYR20
D	LYS46
D	GLU105
D	TYR106
D	HOH542

---

site_id	BC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 514

Chain	Residue
D	GLU13
D	LYS30
D	GLU33

---

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 515

Chain	Residue
B	LYS67
D	LYS60
D	GLU90
D	TYR91

---

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 516

Chain	Residue
D	LEU8
D	LYS12
D	ILE56
D	GLU57

---

site_id	BC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 518

Chain	Residue
A	LYS73
E	ARG76

---

site_id	BC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 E 519

Chain	Residue
E	HIS128
E	LYS132

---

site_id	BC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 520

Chain	Residue
A	LYS12
A	ILE53
A	ILE56
A	GLU57
A	LYS60

---

site_id	BC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 B 521

Chain	Residue
B	PHE15
B	ILE16
B	PRO94
B	LEU95
B	GLN96
B	ASN97
B	ALA98

---

site_id	CC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 531

Chain	Residue
B	ASP144
B	ASN146
B	ALA147

---

site_id	CC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 532

Chain	Residue
E	LYS36
E	TYR40
E	THR45
E	LYS46

---

site_id	CC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 D 533

Chain	Residue
D	PHE162
D	THR163
D	HIS164
D	GLN166
D	HOH539
E	TYR103

---

site_id	CC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 E 534

Chain	Residue
E	LEU3
E	ASN38
E	HIS42

---

site_id	CC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 D 535

Chain	Residue
D	ARG76
D	TYR80

---

site_id	CC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 D 537

Chain	Residue
D	HIS128
D	LYS132

---

site_id	CC7
Number of Residues	8
Details	BINDING SITE FOR RESIDUE DEQ A 201

Chain	Residue
B	PHE162
A	GLU57
A	THR89
A	TYR93
A	TYR103
A	GLN120
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

---