BioLiP

Receptor Information

>6qjx Chain A (length=195) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SRLNRESVIDAALELLNETGIDGLTTRKLAQKLGIEQPTLYWHVKNKRAL
LDALAVEILARHHDYSLPAAGESWQSFLRNNAMSFRRALLRYRDGAKVHL
GARPDEKQYDTVETQLRFMTENGFSLRDGLYAISAVSHFTLGAVLEQQEH
TNLPPLLREALQIMDSDDGEQAFLHGLESLIRGFEVQLTALLQIV

Ligand ID

MIY

InChI

InChI=1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17-,23-/m0/s1

InChIKey

DYKFCLLONBREIL-KVUCHLLUSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.5.0	CN(C)c1ccc(c2c1CC3CC4C(C(=C(C(=O)C4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O
CACTVS 3.341	CN(C)[CH]1[CH]2C[CH]3Cc4c(ccc(O)c4C(=O)C3=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O)N(C)C
ACDLabs 10.04	O=C(N)C1=C(O)C(N(C)C)C2CC4C(=C(O)C2(O)C1=O)C(=O)c3c(c(ccc3O)N(C)C)C4
OpenEye OEToolkits 1.5.0	CN(C)c1ccc(c2c1C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C2=O)O)O)C(=O)N)O)N(C)C)O
CACTVS 3.341	CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(N)=O)N(C)C

Formula

C23 H27 N3 O7

Name

(4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE;
MINOCYCLINE

PDB chain

6qjx Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	6qjx Thermodynamics, cooperativity and stability of the tetracycline repressor (TetR) upon tetracycline binding.
Resolution	2.1 Å
Binding residue (original residue number in PDB)	H64 S67 N82 F86 H100 Q116 L131 S135 S138 H139
Binding residue (residue number reindexed from 1)	H63 S66 N81 F85 H99 Q115 L130 S134 S137 H138
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0000976	transcription cis-regulatory region binding
GO:0003677	DNA binding
GO:0003700	DNA-binding transcription factor activity
GO:0046872	metal ion binding

	Biological Process
GO:0006355	regulation of DNA-templated transcription
GO:0045892	negative regulation of DNA-templated transcription
GO:0046677	response to antibiotic

PDB	RCSB:6qjx, PDBe:6qjx, PDBj:6qjx
PDBsum	6qjx
PubMed	32114262
UniProt	P0ACT4\|TETR4_ECOLX Tetracycline repressor protein class D (Gene Name=tetR)

[Back to BioLiP]

Structure of PDB 6qjx Chain A Binding Site BS01