Structure of PDB 4mpo Chain E Binding Site BS01

Receptor Information
>4mpo Chain E (length=144) Species: 471472 (Chlamydia trachomatis L2/434/Bu) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KHEYSFGVIPIRFFGTPDRSTLKACFICHTDGKHWGFPKGHAEEKEGPQE
AAERELVEETGLGIVNFFPKIFVENYSFNDKEEIFVRKEVTYFLAEVKGE
VHADPDEICDVQWLSFQEGLRLLNFPEIRNIVTEADKFVQSYLF
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 chain4mpo Chain E Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mpo Chlamydia trachomatis CT771 (nudH) Is an Asymmetric Ap4A Hydrolase.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D114 V115
Binding residue
(residue number reindexed from 1)		D110 V111
Annotation score1
Enzymatic activity
Enzyme Commision number 3.-.-.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004081 bis(5'-nucleosyl)-tetraphosphatase (asymmetrical) activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006167 AMP biosynthetic process
GO:0006754 ATP biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:4mpo, PDBe:4mpo, PDBj:4mpo
PDBsum4mpo
PubMed24354275
UniProtA0A0H3MCJ9

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