Structure of PDB 4zms Chain A Binding Site BS03

Receptor Information
>4zms Chain A (length=207) Species: 171101 (Streptococcus pneumoniae R6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLVPRGSHMKVLVAEDQSMLRDAMCQLLTLQPDVESVLQAKNGQEAIQLL
EKESVDIAILDVEMPVKTGLEVLEWIRSEKLETKVVVVTTFKRAGYFERA
VKAGVDAYVLKERSIADLMQTLHTVLEGRKEYSPELMEMVMTRPNPLTEQ
EIAVLKGIARGLSNQEIADQLYLSNGTIRNYVTNILSKLDAGNRTEAANI
AKESGWL
Ligand information
Ligand ID4QT
InChIInChI=1S/C6H4Br3NO4/c7-1-4(10)2(8)6(14-12)3(9)5(1)13-11/h11-12H,10H2
InChIKeyLZZXDGTUENOCKF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1c(Br)c(OO)c(Br)c(OO)c1Br
ACDLabs 12.01
OpenEye OEToolkits 1.9.2		c1(c(c(c(c(c1Br)OO)Br)OO)Br)N
FormulaC6 H4 Br3 N O4
Name5-amino-2,4,6-tribromobenzene-1,3-diyl dihydroperoxide
ChEMBL
DrugBank
ZINCZINC000584904940
PDB chain4zms Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4zms Structural characterization of the full-length response regulator spr1814 in complex with a phosphate analogue reveals a novel conformational plasticity of the linker region
Resolution1.9 Å
Binding residue
(original residue number in PDB)		F83 K84 R85
Binding residue
(residue number reindexed from 1)		F91 K92 R93
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000156 phosphorelay response regulator activity
GO:0000976 transcription cis-regulatory region binding
GO:0003677 DNA binding
GO:0046872 metal ion binding
Biological Process
GO:0000160 phosphorelay signal transduction system
GO:0006355 regulation of DNA-templated transcription
Cellular Component
GO:0005829 cytosol
GO:0032993 protein-DNA complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4zms, PDBe:4zms, PDBj:4zms
PDBsum4zms
PubMed27038544
UniProtQ8DNC2

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