Structure of PDB 3nr1 Chain B Binding Site BS01

Receptor Information
>3nr1 Chain B (length=178) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSEAAQLLEAADFAARKHRQQRRKDPEGTPYINHPIGVARILTHEAGITD
IVVLQAALLHDTVEDTDTTLDEVELHFGAQVRRLVEEVTDDKTLPKLERK
RLQVEQAPHSSPGAKLVKLADKLYNLRDLNRCTPEGWSEHRVQEYFEWAA
QVVKGLQGTNRQLEEALKHLFKQRGLTI
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 chain3nr1 Chain B Residue 199 [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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PDB3nr1 A metazoan ortholog of SpoT hydrolyzes ppGpp and functions in starvation responses
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H35 H61 D62 D122
Binding residue
(residue number reindexed from 1)		H34 H60 D61 D121
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.7.2: guanosine-3',5'-bis(diphosphate) 3'-diphosphatase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008893 guanosine-3',5'-bis(diphosphate) 3'-diphosphatase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3nr1, PDBe:3nr1, PDBj:3nr1
PDBsum3nr1
PubMed20818390
UniProtQ8N4P3|MESH1_HUMAN Guanosine-3',5'-bis(diphosphate) 3'-pyrophosphohydrolase MESH1 (Gene Name=HDDC3)

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