Structure of PDB 5xnx Chain D Binding Site BS01

Receptor Information
>5xnx Chain D (length=321) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLEPLVAVHREIYPKADLSILQRAYEVADQRPYITHPLAVANILAELGMD
TTTLVALLHDTVEDTGYTLEALTEEFGEEVGHLVDGVTKLDRVVRVLVIK
VADRLHNMRTMRFLPPEKQARKARETLEVIAPLAHRLGMASVKWELEDLS
FAILHPKKYEEIVRLVAGRAPSRDTYLAKVRAEIVNTLTASKIKATVEGR
PKHYWSIYQKMIVKGRDFDDIHDLVGVRILCDEIRDCYAAVGVVHSLWQP
MAGRFKDYIAQPRYGVYQSLHTTVVGPEGKPLEVQIRTRDMHRTAEYGIA
AHWRYKEAKAEIDDMAWMRQL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5xnx Chain D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5xnx Crystallographic and solution structure of the N-terminal domain of the Rel protein from Mycobacterium tuberculosis
Resolution3.7 Å
Binding residue
(original residue number in PDB)		H56 D81 D145
Binding residue
(residue number reindexed from 1)		H36 D60 D103
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.6.5: GTP diphosphokinase.
3.1.7.2: guanosine-3',5'-bis(diphosphate) 3'-diphosphatase.
Gene Ontology
Biological Process
GO:0015969 guanosine tetraphosphate metabolic process

View graph for
Biological Process
External links
PDB RCSB:5xnx, PDBe:5xnx, PDBj:5xnx
PDBsum5xnx
PubMed28672070
UniProtP9WHG9|RELA_MYCTU Bifunctional (p)ppGpp synthase/hydrolase RelA (Gene Name=relA)

[Back to BioLiP]