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Receptor Information

>2xpv Chain A (length=199) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

SRLNRESVIDAALELLNETGIDGLTTRKLAQKLGIEQPTLYWHVKNKRAL
LDALAVEILARHHDYSLPAAGESWQSFLRNNAMSFRRALLRYRDGAKVHL
GTRPDEKQYDTVETQLRFMTENGFSLRDGLYAISAVSHFTLGAVLEQQEH
TAALENLPPLLREALQIMDSDDGEQAFLHGLESLIRGFEVQLTALLQIV

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

2xpv Chain A Residue 1209 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	2xpv Structure of the Tet Repressor-Tetracycline Complex and Regulation of Antibiotic Resistance.
Resolution	1.49 Å
Binding residue (original residue number in PDB)	H64 S67 N82 F86 H100 R104 P105 Q116 S138
Binding residue (residue number reindexed from 1)	H63 S66 N81 F85 H99 R103 P104 Q115 S137
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:2xpv, PDBe:2xpv, PDBj:2xpv
PDBsum	2xpv
PubMed
UniProt	P0ACT4\|TETR4_ECOLX Tetracycline repressor protein class D (Gene Name=tetR)

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Structure of PDB 2xpv Chain A Binding Site BS01