Structure of PDB 8acu Chain B Binding Site BS01

Receptor Information
>8acu Chain B (length=331) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VLTAEQVIDKARSYLSDEHIAFVEKAYLYAEDKSGEPYIIHPIQVAGILV
DLEMDPSTIAGGFLHDVVEDTDVTLDDLKEAFSEEVAMLVDGVTKLGKIQ
EEQQAENHRKMFVAMAQDIRVILIKLADRLHNMRTLKHLPQEKQRRISNE
TLEIFAPLAHRLGISKIKWELEDTALRYLNPQQYYRIVNLMKKKRAEREL
YVDEVVNEVKKRVEEVNIKADFSGRPKHIYSIYRKMVLQNKQFNEIYDLL
AVRILVNSIKDCYAVLGIIHTCWKPMPGRFKDYIAMPKPNMYQSLHTTVI
GPKGDPLEVQIRTFEMHEIAEYGVAAHWAYK
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain8acu Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8acu Structure of Bacillus subtilis Rel in complex with DarB
Resolution2.97 Å
Binding residue
(original residue number in PDB)		H53 H77 D78 D144
Binding residue
(residue number reindexed from 1)		H41 H65 D66 D128
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.6.5: GTP diphosphokinase.
Gene Ontology
Biological Process
GO:0015969 guanosine tetraphosphate metabolic process

View graph for
Biological Process
External links
PDB RCSB:8acu, PDBe:8acu, PDBj:8acu
PDBsum8acu
PubMed
UniProtO54408|RELA_BACSU GTP pyrophosphokinase (Gene Name=relA)

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