3BTI

crystal structure of QacR(E58Q) bound to berberine

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 599

Chain	Residue
A	ASN2
A	ASP5
A	LYS6

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 600

Chain	Residue
B	LYS12
B	ILE56
B	GLU57
B	LYS60

---

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 299

Chain	Residue
A	LYS4
A	HIS42

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 899

Chain	Residue
D	THR25
D	TYR40
D	LYS46

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 900

Chain	Residue
E	THR24
E	THR25
E	GLY26
E	LYS36

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 249

Chain	Residue
E	LYS36
E	TYR40
E	THR45
E	LYS46

---

site_id	AC7
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 699

Chain	Residue
A	LYS36
E	LYS60
E	TYR91

---

site_id	AC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 999

Chain	Residue
D	TYR20
D	LYS46
D	TYR106

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 E 399

Chain	Residue
E	LYS12
E	ILE53
E	ILE56
E	GLU57

---

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 E 799

Chain	Residue
A	LYS36
A	TYR40
E	ASN2
E	ASP5
E	LYS6

---

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 B 1000

Chain	Residue
B	THR23
B	THR24
B	THR25
B	LYS46

---

site_id	BC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 A 801

Chain	Residue
A	HIS128
A	LYS132

---

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 279

Chain	Residue
A	ASN2
A	LEU3
A	LYS4
A	ASN38
A	HIS42

---

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 280

Chain	Residue
B	LYS73
D	HIS164
D	GLU165
E	TYR107

---

site_id	BC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 E 239

Chain	Residue
E	HIS128
E	LYS132

---

site_id	BC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 779

Chain	Residue
D	GLU13
D	ILE16
D	LYS30
D	GLU33

---

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 D 400

Chain	Residue
D	HIS128
D	LYS132
D	ASN146

---

site_id	BC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE BER A 802

Chain	Residue
A	GLU57
A	TRP61
A	GLN64
A	SER86
A	THR89
A	TYR93
A	GLU120
A	TYR123

---

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

---