Structure of PDB 7p1y Chain BBB Binding Site BS01

Receptor Information
>7p1y Chain BBB (length=171) Species: 243275 (Treponema denticola ATCC 35405) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVLKGIYLAPYMQVATALIGKANMFRHQVDTMAILIDYGYIDSVLLKASL
IHDVIENIEDFNVNEILSIDSESGQVYELVLEVTKKKGQEKTEYLKNIIK
NGSEKAKILKCADRISNMISLGFVTDSEFIERYCNETELYIFPIALEVNF
EMYKELMALVVSRRQYLVECG
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 chain7p1y Chain BBB Residue 301 [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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PDB7p1y A small alarmone hydrolase TdActApo2 mutant - T78N
Resolution2.38 Å
Binding residue
(original residue number in PDB)		H48 H73 D74 D134
Binding residue
(residue number reindexed from 1)		H27 H52 D53 D113
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7p1y, PDBe:7p1y, PDBj:7p1y
PDBsum7p1y
PubMed
UniProtQ73M21

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